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

• ChemBase ID: 619757
• Molecular Formular: C23H26N2O
• Molecular Mass: 346.46534
• Monoisotopic Mass: 346.20451346
• SMILES: c1(nc(c(o1)C)CN1CCC(CC1)c1ccccc1)c1c(C)cccc1
• Canonical SMILES: Cc1oc(nc1CN1CCC(CC1)c1ccccc1)c1ccccc1C
• InChI: InChI=1S/C23H26N2O/c1-17-8-6-7-11-21(17)23-24-22(18(2)26-23)16-25-14-12-20(13-15-25)19-9-4-3-5-10-19/h3-11,20H,12-16H2,1-2H3
• InChIKey: LPNKPORAPDIEQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.2838483
• LogD (pH = 7.4): 4.05775
• Log P: 4.946948
• Molar Refractivity: 116.866 cm^3
• Polarizability: 41.53155 Å^3
• Polar Surface Area: 29.27 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: 4.77
• LOG S: -5.16
• Polar Surface Area: 29.27 Å^2
• Rotatable Bonds: 4