5-Amino-2-[4-(5-amino-4-cyano-oxazol-2-yl)phenyl]oxazole-4-carbonitrile
Basic information
- Standard SMILES
N#Cc1nc(-c2ccc(-c3nc(C#N)c(N)o3)cc2)oc1N- InChIKey
FUIKFJDTHFOXPD-UHFFFAOYSA-N- Molecular formula
- C14H8N6O2
- Average molar mass
- 292.25 g/mol
- Monoisotopic mass
- 292.07087352
Names & identifiers
- Preferred name
- 5-Amino-2-[4-(5-amino-4-cyano-oxazol-2-yl)phenyl]oxazole-4-carbonitrile
- IUPAC
- 5-amino-2-[4-(5-amino-4-cyano-1,3-oxazol-2-yl)phenyl]-1,3-oxazole-4-carbonitrile
Names & synonyms
NSC658985CHEMBL1987766NSC-658985NCI60_0207754-Oxazolecarbonitrile, 2,2'-(1,4-phenylene)bis[5-amino-5-amino-2-[4-(5-amino-4-cyano-oxazol-2-yl)phenyl]oxazole-4-carbonitrile
Database identifiers
- PubChem CID
- 377501
- ChEMBL
CHEMBL1987766
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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