Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2cccc(NC(=O)C3CCN(C(C)=O)CC3)c2)on1- InChIKey
JXDRLMUDQGSJBW-UHFFFAOYSA-N- Molecular formula
- C20H23N3O5
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.16377084
Names & identifiers
- Preferred name
- Ethyl 5-(3-{((1-acetylpiperidin-4-yl)carbonyl)amino}phenyl)isoxazole-3-carboxylate
- IUPAC
- ethyl 5-[3-[(1-acetylpiperidine-4-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylate
Names & synonyms
SCHEMBL5620150JXDRLMUDQGSJBW-UHFFFAOYSA-NEthyl 5-(3-{((1-acetylpiperidin-4-yl)carbonyl)amino}phenyl)isoxazole-3-carboxylate
Database identifiers
- PubChem CID
- 69507772
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 576
Related reactions
3 records
Compound notes
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