1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3,3-diphenylpiperidine

• ChemBase ID: 615095
• Molecular Formular: C24H26N2O2
• Molecular Mass: 374.47544
• Monoisotopic Mass: 374.19942808
• SMILES: c1(C(=O)N2CC(c3ccccc3)(c3ccccc3)CCC2)c(onc1CC)C
• Canonical SMILES: CCc1noc(c1C(=O)N1CCCC(C1)(c1ccccc1)c1ccccc1)C
• InChI: InChI=1S/C24H26N2O2/c1-3-21-22(18(2)28-25-21)23(27)26-16-10-15-24(17-26,19-11-6-4-7-12-19)20-13-8-5-9-14-20/h4-9,11-14H,3,10,15-17H2,1-2H3
• InChIKey: WJTXEBSKQRJOGL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3,3-diphenylpiperidine
• IUPAC Traditional name: 1-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-3,3-diphenylpiperidine
• Synonyms: 1-[(3-ethyl-5-methylisoxazol-4-yl)carbonyl]-3,3-diphenylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5281916
• LogD (pH = 7.4): 4.5281987
• Log P: 4.5281987
• Molar Refractivity: 122.436 cm^3
• Polarizability: 42.182693 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: 3.78
• LOG S: -5.93
• Polar Surface Area: 46.34 Å^2
• Rotatable Bonds: 4