Basic information
- Standard SMILES
CC(=O)Oc1ccc2nc(N3CCCCC3C(=O)OCc3ccccc3)oc2c1- InChIKey
LYDXVSALEPOYBY-UHFFFAOYSA-N- Molecular formula
- C22H22N2O5
- Average molar mass
- 394.4 g/mol
- Monoisotopic mass
- 394.15287181
Names & identifiers
- Preferred name
- Benzyl 1-(6-acetyloxy-1,3-benzoxazol-2-yl)piperidine-2-carboxylate
- IUPAC
- benzyl 1-(6-acetyloxy-1,3-benzoxazol-2-yl)piperidine-2-carboxylate
Database identifiers
- PubChem CID
- 22115262
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 580
Related reactions
1 records
Compound notes
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