Basic information
- Standard SMILES
Cc1nc2c(N3C(=O)[C@@H]4[C@H](O)CCN4C3=O)ccc(C#N)c2o1- InChIKey
NVQOBJKKXZZZNJ-PWSUYJOCSA-N- Molecular formula
- C15H12N4O4
- Average molar mass
- 312.28 g/mol
Names & identifiers
- Preferred name
- (7R,7aS)-4-(7-Hydroxy-1,3-dioxotetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-2-methylbenzoxazole-7-carbonitrile
- IUPAC
- 4-[(7R,7aS)-7-hydroxy-1,3-dioxo-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazol-2-yl]-2-methyl-1,3-benzoxazole-7-carbonitrile
Names & synonyms
SCHEMBL2955599NVQOBJKKXZZZNJ-PWSUYJOCSA-N(7R,7aS)-4-(7-Hydroxy-1,3-dioxotetrahydro-pyrrolo[1,2-c]imidazol-2-yl)-2-methylbenzoxazole-7-carbonitrile
Database identifiers
- PubChem CID
- 59754247
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 602
Related reactions
2 records
Compound notes
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