1-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine

• ChemBase ID: 770288
• Molecular Formular: C24H28N2O2
• Molecular Mass: 376.49132
• Monoisotopic Mass: 376.21507815
• SMILES: c1(nc(c(o1)C)CN1CC(c2ccccc2)CCC1)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1nc(c(o1)C)CN1CCCC(C1)c1ccccc1
• InChI: InChI=1S/C24H28N2O2/c1-3-27-23-14-8-7-13-21(23)24-25-22(18(2)28-24)17-26-15-9-12-20(16-26)19-10-5-4-6-11-19/h4-8,10-11,13-14,20H,3,9,12,15-17H2,1-2H3
• InChIKey: ZQNKPBCNBNRWRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine
• IUPAC Traditional name: 1-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine
• Synonyms: 1-{[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-3-phenylpiperidine

CALCULATED PROPERTIES

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7740952
• LogD (pH = 7.4): 3.5104058
• Log P: 4.710617
• Molar Refractivity: 122.9596 cm^3
• Polarizability: 44.103237 Å^3
• Polar Surface Area: 38.5 Å^2

供应商提供(Chembridge)

• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0
• Log P: 4.71
• LOG S: -5.29
• Polar Surface Area: 38.5 Å^2