(3S)-1-(4-fluorobenzoyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine

• ChemBase ID: 125641
• Molecular Formular: C20H17F2N3O2
• Molecular Mass: 369.3646864
• Monoisotopic Mass: 369.12888324
• SMILES: Fc1ccc(cc1)C(=O)N1CCC[C@H](c2nc(no2)c2ccc(F)cc2)C1
• Canonical SMILES: Fc1ccc(cc1)C(=O)N1CCC[C@@H](C1)c1onc(n1)c1ccc(cc1)F
• InChI: InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1
• InChIKey: VXQCCZHCFBHTTD-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-1-(4-fluorobenzoyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine
• IUPAC Traditional name: (3S)-1-(4-fluorobenzoyl)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine
• Synonyms: ADX-47273

Database IDs

• PubChem SID: 162219991
• PubChem CID: 11383075
• CHEMBL: 381055
• Chemspider ID: 9557988
• IUPHAR ligand ID: 1420
• Wikipedia Title: ADX-47273

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.263751
• LogD (pH = 7.4): 4.263752
• Log P: 4.263752
• Molar Refractivity: 107.4727 cm^3
• Polarizability: 36.0032 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true