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

• ChemBase ID: 540923
• Molecular Formular: C18H21FN2O2
• Molecular Mass: 316.3699432
• Monoisotopic Mass: 316.15870614
• SMILES: c1(C(=O)N2C(c3ccc(cc3)F)CCCC2)noc(c1)CCC
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCCCC1c1ccc(cc1)F
• InChI: InChI=1S/C18H21FN2O2/c1-2-5-15-12-16(20-23-15)18(22)21-11-4-3-6-17(21)13-7-9-14(19)10-8-13/h7-10,12,17H,2-6,11H2,1H3
• InChIKey: LZHOHVBUBKQKGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.9655945
• LogD (pH = 7.4): 3.9655945
• Log P: 3.9655945
• Molar Refractivity: 86.9157 cm^3
• Polarizability: 32.358368 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.44
• LOG S: -3.59
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4