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

• ChemBase ID: 681792
• Molecular Formular: C23H27N3O3
• Molecular Mass: 393.47878
• Monoisotopic Mass: 393.20524174
• SMILES: c1(nc(c(o1)C)CN1C(c2cnccc2)CCCC1)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)c1nc(c(o1)C)CN1CCCCC1c1cccnc1)OC
• InChI: InChI=1S/C23H27N3O3/c1-16-20(15-26-12-5-4-8-21(26)17-7-6-11-24-14-17)25-23(29-16)19-13-18(27-2)9-10-22(19)28-3/h6-7,9-11,13-14,21H,4-5,8,12,15H2,1-3H3
• InChIKey: HCJBELHDPXVWFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3815949
• LogD (pH = 7.4): 2.969489
• Log P: 3.263929
• Molar Refractivity: 122.2335 cm^3
• Polarizability: 43.924698 Å^3
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.95
• LOG S: -2.96
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 4