2-(4-fluorophenyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine

• ChemBase ID: 688472
• Molecular Formular: C21H19FN2O2
• Molecular Mass: 350.3861632
• Monoisotopic Mass: 350.14305608
• SMILES: c1(C(=O)N2C(c3ccc(cc3)F)CCCC2)noc(c1)c1ccccc1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1C(=O)c1noc(c1)c1ccccc1
• InChI: InChI=1S/C21H19FN2O2/c22-17-11-9-15(10-12-17)19-8-4-5-13-24(19)21(25)18-14-20(26-23-18)16-6-2-1-3-7-16/h1-3,6-7,9-12,14,19H,4-5,8,13H2
• InChIKey: YAZHYVICILXTGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine
• Synonyms: 2-(4-fluorophenyl)-1-[(5-phenyl-3-isoxazolyl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.3661685
• LogD (pH = 7.4): 4.3661685
• Log P: 4.3661685
• Molar Refractivity: 97.6547 cm^3
• Polarizability: 37.826275 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.83
• LOG S: -4.17
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 3