NP-MRD: Showing NP-Card for 2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid (NP0213675)

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Record Information

Version

2.0

Created at

2022-09-05 12:43:56 UTC

Updated at

2022-09-05 12:43:56 UTC

NP-MRD ID

NP0213675

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid

Description

Tantazole B belongs to the class of organic compounds known as 2,4,5-trisubstituted oxazoles. 2,4,5-Trisubstituted oxazoles are compounds containing an oxazole ring substituted at positions 2, 4 and 5 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole. Based on a literature review very few articles have been published on Tantazole B.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309052214432D          

 37 41  0  0  1  0            999 V2000
   -1.5851   -4.6637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652309052214432D          

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  8  7  1  6  0  0  0
  8  9  1  1  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 12  1  6  0  0  0
 13 14  1  1  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  6  0  0  0
 18 19  1  1  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 23 22  1  1  0  0  0
 23 24  1  6  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 27 31  2  0  0  0  0
 23 31  1  0  0  0  0
 22 32  2  0  0  0  0
 18 32  1  0  0  0  0
 17 33  2  0  0  0  0
 13 33  1  0  0  0  0
 12 34  2  0  0  0  0
  8 34  1  0  0  0  0
  7 35  1  0  0  0  0
 35 36  1  0  0  0  0
  5 36  2  0  0  0  0
 36 37  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0213675

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CN=C(O)C1=C(C)OC(=N1)[C@]1(C)CSC(=N1)[C@]1(C)CSC(=N1)[C@]1(C)CSC(=N1)[C@@]1(C)CSC(=N1)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C25H34N6O2S4/c1-13(2)17-28-23(5,10-34-17)19-30-25(7,12-36-19)21-31-24(6,11-37-21)20-29-22(4,9-35-20)18-27-15(14(3)33-18)16(32)26-8/h13H,9-12H2,1-8H3,(H,26,32)/t22-,23+,24-,25-/m0/s1

> <INCHI_KEY>
QQRRYMHITBHPAI-NDBXHCKUSA-N

> <FORMULA>
C25H34N6O2S4

> <MOLECULAR_WEIGHT>
578.83

> <EXACT_MASS>
578.162609055

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
71

> <JCHEM_AVERAGE_POLARIZABILITY>
62.913248046735646

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(4R)-4-methyl-2-(propan-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-oxazole-4-carboximidic acid

> <JCHEM_LOGP>
5.074481217666667

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.597188839529857

> <JCHEM_PKA_STRONGEST_BASIC>
4.109803885632604

> <JCHEM_POLAR_SURFACE_AREA>
108.06

> <JCHEM_REFRACTIVITY>
156.86799999999994

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2-[(4R)-2-[(4S)-2-[(4S)-2-[(4R)-2-isopropyl-4-methyl-5H-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazol-4-yl]-N,5-dimethyl-1,3-oxazole-4-carboximidic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 05-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   05-SEP-22         0                                  
HETATM    1  C   UNK     0      -2.959  -8.706   0.000  0.00  0.00           C+0
HETATM    2  N   UNK     0      -2.959 -10.246   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0      -4.292 -11.016   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0      -5.626 -10.246   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0      -4.292 -12.556   0.000  0.00  0.00           C+0
HETATM    6  N   UNK     0      -3.047 -13.461   0.000  0.00  0.00           N+0
HETATM    7  C   UNK     0      -3.522 -14.925   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.617 -16.171   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.951 -16.941   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.473 -15.141   0.000  0.00  0.00           C+0
HETATM   11  S   UNK     0      -0.139 -15.911   0.000  0.00  0.00           S+0
HETATM   12  C   UNK     0      -0.459 -17.417   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.571 -18.562   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.675 -19.467   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.602 -17.417   0.000  0.00  0.00           C+0
HETATM   16  S   UNK     0       3.008 -18.043   0.000  0.00  0.00           S+0
HETATM   17  C   UNK     0       2.847 -19.575   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.992 -20.606   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.847 -21.636   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.897 -19.360   0.000  0.00  0.00           C+0
HETATM   21  S   UNK     0       6.362 -19.836   0.000  0.00  0.00           S+0
HETATM   22  C   UNK     0       6.362 -21.376   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       7.608 -22.281   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       6.577 -23.425   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       8.378 -20.947   0.000  0.00  0.00           C+0
HETATM   26  S   UNK     0       9.884 -21.267   0.000  0.00  0.00           S+0
HETATM   27  C   UNK     0      10.045 -22.799   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.379 -23.569   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.712 -22.799   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      11.379 -25.109   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0       8.638 -23.425   0.000  0.00  0.00           N+0
HETATM   32  N   UNK     0       4.897 -21.851   0.000  0.00  0.00           N+0
HETATM   33  N   UNK     0       1.341 -19.895   0.000  0.00  0.00           N+0
HETATM   34  N   UNK     0      -1.991 -17.578   0.000  0.00  0.00           N+0
HETATM   35  O   UNK     0      -5.062 -14.925   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      -5.538 -13.461   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -7.003 -12.985   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6   36                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   35                                                  
CONECT    8    7    9   10   34                                             
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   34                                                  
CONECT   13   12   14   15   33                                             
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   33                                                  
CONECT   18   17   19   20   32                                             
CONECT   19   18                                                            
CONECT   20   18   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   32                                                  
CONECT   23   22   24   25   31                                             
CONECT   24   23                                                            
CONECT   25   23   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   31                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31   27   23                                                       
CONECT   32   22   18                                                       
CONECT   33   17   13                                                       
CONECT   34   12    8                                                       
CONECT   35    7   36                                                       
CONECT   36   35    5   37                                                  
CONECT   37   36                                                            
MASTER        0    0    0    0    0    0    0    0   37    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₃₄N₆O₂S₄

Average Mass

578.8300 Da

Monoisotopic Mass

578.16261 Da

IUPAC Name

N,5-dimethyl-2-[(4R)-4-methyl-2-[(4S)-4-methyl-2-[(4S)-4-methyl-2-[(4R)-4-methyl-2-(propan-2-yl)-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-oxazole-4-carboximidic acid

Traditional Name

2-[(4R)-2-[(4S)-2-[(4S)-2-[(4R)-2-isopropyl-4-methyl-5H-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazol-4-yl]-4-methyl-5H-1,3-thiazol-4-yl]-N,5-dimethyl-1,3-oxazole-4-carboximidic acid

CAS Registry Number

Not Available

SMILES

CN=C(O)C1=C(C)OC(=N1)[C@]1(C)CSC(=N1)[C@]1(C)CSC(=N1)[C@]1(C)CSC(=N1)[C@@]1(C)CSC(=N1)C(C)C

InChI Identifier

InChI=1S/C25H34N6O2S4/c1-13(2)17-28-23(5,10-34-17)19-30-25(7,12-36-19)21-31-24(6,11-37-21)20-29-22(4,9-35-20)18-27-15(14(3)33-18)16(32)26-8/h13H,9-12H2,1-8H3,(H,26,32)/t22-,23+,24-,25-/m0/s1

InChI Key

QQRRYMHITBHPAI-NDBXHCKUSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2,4,5-trisubstituted oxazoles. 2,4,5-Trisubstituted oxazoles are compounds containing an oxazole ring substituted at positions 2, 4 and 5 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Azoles

Sub Class

Oxazoles

Direct Parent

2,4,5-trisubstituted oxazoles

Alternative Parents

Substituents

2-heteroaryl carboxamide
2,4,5-trisubstituted 1,3-oxazole
Imidothiolactone
Meta-thiazoline
Heteroaromatic compound
Carboxamide group
Secondary carboxylic acid amide
Carboxylic acid derivative
Propargyl-type 1,3-dipolar organic compound
Organic 1,3-dipolar compound
Oxacycle
Azacycle
Organic oxide
Organooxygen compound
Hydrocarbon derivative
Organic oxygen compound
Organic nitrogen compound
Organonitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	5.07	ChemAxon
pKa (Strongest Acidic)	7.6	ChemAxon
pKa (Strongest Basic)	4.11	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	7	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	108.06 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	156.87 m³·mol⁻¹	ChemAxon
Polarizability	62.91 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8523661

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10348203

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid (NP0213675)

MOL for NP0213675 (2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid)

3D MOL for NP0213675 (2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid)

3D SDF for NP0213675 (2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid)

3D-SDF for NP0213675 (2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid)

PDB for NP0213675 (2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid)

3D PDB for NP0213675 (2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid)

SMILES for NP0213675 (2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid)

INCHI for NP0213675 (2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid)

Structure for NP0213675 (2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid)

3D Structure for NP0213675 (2-[(4r)-2-[(4s)-2-[(4s)-2-[(4r)-2-isopropyl-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-4-methyl-5h-1,3-thiazol-4-yl]-n,5-dimethyl-1,3-oxazole-4-carboximidic acid)