NP-MRD: Showing NP-Card for (1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide (NP0234914)

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Record Information

Version

2.0

Created at

2022-09-06 17:15:17 UTC

Updated at

2022-09-06 17:15:17 UTC

NP-MRD ID

NP0234914

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide

Description

(1S,2S,6R)-4-bromo-N-(4-{[(1S,2R,6R)-4-bromo-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]Heptane-2,2'-[1,5]oxazol]-3-en-4'-yl]formamido}butyl)-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]Heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. (1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide is found in Aplysina gerardogreeni. Based on a literature review very few articles have been published on (1S,2S,6R)-4-bromo-N-(4-{[(1S,2R,6R)-4-bromo-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]Heptane-2,2'-[1,5]oxazol]-3-en-4'-yl]formamido}butyl)-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]Heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062219152D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309062219152D          

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 33 35  1  0  0  0  0
 27 35  1  0  0  0  0
 27 36  1  0  0  0  0
 24 36  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0234914

> <DATABASE_NAME>
NP-MRD

> <SMILES>
BrC1=C[C@]2(CC(=NO2)C(=O)NCCCCNC(=O)C2=NO[C@@]3(C2)C=C(Br)C(=O)[C@@H]2O[C@H]32)[C@H]2O[C@H]2C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C22H20Br2N4O8/c23-9-5-21(17-15(33-17)13(9)29)7-11(27-35-21)19(31)25-3-1-2-4-26-20(32)12-8-22(36-28-12)6-10(24)14(30)16-18(22)34-16/h5-6,15-18H,1-4,7-8H2,(H,25,31)(H,26,32)/t15-,16-,17-,18-,21-,22+/m0/s1

> <INCHI_KEY>
OPMAEHVWCSXSKG-KIHPVRBWSA-N

> <FORMULA>
C22H20Br2N4O8

> <MOLECULAR_WEIGHT>
628.23

> <EXACT_MASS>
625.96479

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
56

> <JCHEM_AVERAGE_POLARIZABILITY>
53.67585778683748

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2S,6R)-4-bromo-N-(4-{[(1S,2R,6R)-4-bromo-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-yl]formamido}butyl)-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide

> <JCHEM_LOGP>
1.5801002126666668

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
14.494240091471202

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.957770040526086

> <JCHEM_PKA_STRONGEST_BASIC>
0.31227117271933513

> <JCHEM_POLAR_SURFACE_AREA>
160.58

> <JCHEM_REFRACTIVITY>
128.1056

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2S,6R)-4-bromo-N-{4-[(1S,2R,6R)-4-bromo-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  O   UNK     0       1.049  -3.483   0.000  0.00  0.00           O+0
HETATM    2  C   UNK     0       1.049  -5.023   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0       2.382  -5.793   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0       3.716  -5.023   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.050  -5.793   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       6.384  -5.023   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.717  -5.793   0.000  0.00  0.00           C+0
HETATM    8  N   UNK     0       9.051  -5.023   0.000  0.00  0.00           N+0
HETATM    9  C   UNK     0      10.385  -5.793   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0      10.385  -7.333   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0      11.718  -5.023   0.000  0.00  0.00           C+0
HETATM   12  N   UNK     0      11.879  -3.491   0.000  0.00  0.00           N+0
HETATM   13  O   UNK     0      13.386  -3.171   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      14.156  -4.504   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      15.061  -3.259   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      16.592  -3.420   0.000  0.00  0.00           C+0
HETATM   17 Br   UNK     0      17.498  -2.174   0.000  0.00  0.00          Br+0
HETATM   18  C   UNK     0      17.219  -4.826   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      18.750  -4.987   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      16.314  -6.072   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      15.408  -7.318   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0      14.782  -5.911   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      13.125  -5.649   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.285  -5.793   0.000  0.00  0.00           C+0
HETATM   25  N   UNK     0      -0.446  -7.324   0.000  0.00  0.00           N+0
HETATM   26  O   UNK     0      -1.952  -7.644   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -2.722  -6.311   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -3.627  -7.557   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.159  -7.396   0.000  0.00  0.00           C+0
HETATM   30 Br   UNK     0      -6.064  -8.641   0.000  0.00  0.00          Br+0
HETATM   31  C   UNK     0      -5.785  -5.989   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -7.317  -5.828   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -4.880  -4.743   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      -3.975  -3.497   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -3.349  -4.904   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.692  -5.166   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   24                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   23                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   22   23                                             
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   22                                                  
CONECT   21   20   22                                                       
CONECT   22   21   20   14                                                  
CONECT   23   14   11                                                       
CONECT   24    2   25   36                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   35   36                                             
CONECT   28   27   29                                                       
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33   35                                                       
CONECT   35   34   33   27                                                  
CONECT   36   27   24                                                       
MASTER        0    0    0    0    0    0    0    0   36    0   82    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₂H₂₀Br₂N₄O₈

Average Mass

628.2300 Da

Monoisotopic Mass

625.96479 Da

IUPAC Name

(1S,2S,6R)-4-bromo-N-(4-{[(1S,2R,6R)-4-bromo-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-yl]formamido}butyl)-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide

Traditional Name

(1S,2S,6R)-4-bromo-N-{4-[(1S,2R,6R)-4-bromo-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'H-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide

CAS Registry Number

Not Available

SMILES

BrC1=C[C@]2(CC(=NO2)C(=O)NCCCCNC(=O)C2=NO[C@@]3(C2)C=C(Br)C(=O)[C@@H]2O[C@H]32)[C@H]2O[C@H]2C1=O

InChI Identifier

InChI=1S/C22H20Br2N4O8/c23-9-5-21(17-15(33-17)13(9)29)7-11(27-35-21)19(31)25-3-1-2-4-26-20(32)12-8-22(36-28-12)6-10(24)14(30)16-18(22)34-16/h5-6,15-18H,1-4,7-8H2,(H,25,31)(H,26,32)/t15-,16-,17-,18-,21-,22+/m0/s1

InChI Key

OPMAEHVWCSXSKG-KIHPVRBWSA-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

Species Name	Source	Reference
Aplysina gerardogreeni	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclohexenones. Cyclohexenones are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Cyclohexenones

Alternative Parents

Substituents

Cyclohexenone
Alpha-haloketone
Isoxazoline
Secondary carboxylic acid amide
Oxime ether
Carboxamide group
Oxacycle
Azacycle
Bromoalkene
Haloalkene
Organoheterocyclic compound
Vinyl halide
Vinyl bromide
Ether
Oxirane
Dialkyl ether
Carboxylic acid derivative
Organic nitrogen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organonitrogen compound
Organobromide
Organohalogen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic 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	1.58	ChemAxon
pKa (Strongest Acidic)	13.96	ChemAxon
pKa (Strongest Basic)	0.31	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	160.58 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	128.11 m³·mol⁻¹	ChemAxon
Polarizability	53.68 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

162899425

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide (NP0234914)

MOL for NP0234914 ((1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide)

3D MOL for NP0234914 ((1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide)

3D SDF for NP0234914 ((1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide)

3D-SDF for NP0234914 ((1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide)

PDB for NP0234914 ((1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide)

3D PDB for NP0234914 ((1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide)

SMILES for NP0234914 ((1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide)

INCHI for NP0234914 ((1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide)

Structure for NP0234914 ((1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide)

3D Structure for NP0234914 ((1s,2r,6r)-4-bromo-n-{4-[(1s,2s,6r)-4-bromo-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-en-4'-ylformamido]butyl}-5-oxo-3'h-7-oxaspiro[bicyclo[4.1.0]heptane-2,2'-[1,5]oxazol]-3-ene-4'-carboxamide)