2(3H)-Oxazolone, 3-acetyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
Basic information
- CAS
52868-03-8- Standard SMILES
CC(=O)n1c(-c2ccc(F)cc2)c(CCN2CCN(c3ccccc3)CC2)oc1=O- InChIKey
JPPWDXMUCJUVPJ-UHFFFAOYSA-N- Molecular formula
- C23H24FN3O3
- Average molar mass
- 409.5 g/mol
- Monoisotopic mass
- 409.1801698
Names & identifiers
- Preferred name
- 2(3H)-Oxazolone, 3-acetyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-
- IUPAC
- 3-acetyl-4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
Names & synonyms
BRN 11824142(3H)-Oxazolone, 3-acetyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-52868-03-8DTXSID702008983-Acetyl-4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-2(3H)-oxazoloneRefChem:241685DTXCID00123389CHEMBL720683-Acetyl-4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2(3H)-one
Database identifiers
- CAS
52868-03-8- PubChem CID
- 3040752
- DTXSID
DTXSID70200898- ChEMBL
CHEMBL72068
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 661
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Compound notes
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