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

• ChemBase ID: 626538
• Molecular Formular: C23H24N2O2
• Molecular Mass: 360.44886
• Monoisotopic Mass: 360.18377802
• SMILES: c1(C(=O)N2C(CCc3ccccc3)CCCC2)cc(no1)c1ccccc1
• Canonical SMILES: O=C(N1CCCCC1CCc1ccccc1)c1onc(c1)c1ccccc1
• InChI: InChI=1S/C23H24N2O2/c26-23(22-17-21(24-27-22)19-11-5-2-6-12-19)25-16-8-7-13-20(25)15-14-18-9-3-1-4-10-18/h1-6,9-12,17,20H,7-8,13-16H2
• InChIKey: WVTUMVDHHMMHEN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9566965
• LogD (pH = 7.4): 4.9566965
• Log P: 4.9566965
• Molar Refractivity: 106.7943 cm^3
• Polarizability: 41.889492 Å^3
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.21
• LOG S: -4.57
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 5