Basic information
- Standard SMILES
Cn1c(=O)oc2ccc(-c3ccc(CC(C#N)NC(=O)C4CCCCN4)cc3)cc21- InChIKey
KOGMJVNHHBQUNX-UHFFFAOYSA-N- Molecular formula
- C23H24N4O3
- Average molar mass
- 404.5 g/mol
Names & identifiers
- Preferred name
- N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide
- IUPAC
- N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide
Database identifiers
- PubChem CID
- 76700701
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 94.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 681
Related reactions
1 records
Compound notes
Loading…