Basic information
- Standard SMILES
Cc1c(-c2ccccc2)c(N2CC[C@H](N(C)C)C2)c2oc(C(=O)N(C)CCO)nc2c1C#N- InChIKey
LXHKPEUIXFCIHW-SFHVURJKSA-N- Molecular formula
- C25H29N5O3
- Average molar mass
- 447.5 g/mol
Names & identifiers
- Preferred name
- 4-Cyano-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]N-(2-hydroxyethyl)-N,5-dimethyl-6-phenyl-1,3-benzoxazole-2-carboxamide
- IUPAC
- 4-cyano-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-hydroxyethyl)-N,5-dimethyl-6-phenyl-1,3-benzoxazole-2-carboxamide
Names & synonyms
SCHEMBL3300777LXHKPEUIXFCIHW-SFHVURJKSA-N4-Cyano-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]N-(2-hydroxyethyl)-N,5-dimethyl-6-phenyl-1,3-benzoxazole-2-carboxamide
Database identifiers
- PubChem CID
- 68586995
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 733
Related reactions
1 records
Compound notes
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