3-[2-(4-fluorophenyl)ethyl]-1-(5-propyl-1,2-oxazole-3-carbonyl)piperidine

• ChemBase ID: 493210
• Molecular Formular: C20H25FN2O2
• Molecular Mass: 344.4231032
• Monoisotopic Mass: 344.19000627
• SMILES: c1(C(=O)N2CC(CCc3ccc(F)cc3)CCC2)noc(c1)CCC
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCCC(C1)CCc1ccc(cc1)F
• InChI: InChI=1S/C20H25FN2O2/c1-2-4-18-13-19(22-25-18)20(24)23-12-3-5-16(14-23)7-6-15-8-10-17(21)11-9-15/h8-11,13,16H,2-7,12,14H2,1H3
• InChIKey: KAGNZALMOTZBKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5692687
• LogD (pH = 7.4): 4.5692687
• Log P: 4.5692687
• Molar Refractivity: 96.4015 cm^3
• Polarizability: 35.95607 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.34
• LOG S: -4.56
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 6