3-(1-{[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-2-yl)pyridine

• ChemBase ID: 669865
• Molecular Formular: C24H29N3O2
• Molecular Mass: 391.50596
• Monoisotopic Mass: 391.22597718
• SMILES: c1(nc(c(o1)C)CN1C(c2cnccc2)CCCC1)c1c(c(c(cc1)OC)C)C
• Canonical SMILES: COc1ccc(c(c1C)C)c1nc(c(o1)C)CN1CCCCC1c1cccnc1
• InChI: InChI=1S/C24H29N3O2/c1-16-17(2)23(28-4)11-10-20(16)24-26-21(18(3)29-24)15-27-13-6-5-9-22(27)19-8-7-12-25-14-19/h7-8,10-12,14,22H,5-6,9,13,15H2,1-4H3
• InChIKey: QNSFEGZVYCUVJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-2-yl)pyridine
• IUPAC Traditional name: 3-(1-{[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidin-2-yl)pyridine
• Synonyms: 3-(1-{[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-2-piperidinyl)pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.4789495
• LogD (pH = 7.4): 4.1070538
• Log P: 4.448443
• Molar Refractivity: 125.8527 cm^3
• Polarizability: 44.940804 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.09
• LOG S: -4.05
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4