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

• ChemBase ID: 424561
• Molecular Formular: C23H27N3O2
• Molecular Mass: 377.47938
• Monoisotopic Mass: 377.21032712
• SMILES: c1(nc(c(o1)C)CN1C(c2ncccc2)CCCC1)c1c(OCC)cccc1
• Canonical SMILES: CCOc1ccccc1c1nc(c(o1)C)CN1CCCCC1c1ccccn1
• InChI: InChI=1S/C23H27N3O2/c1-3-27-22-13-5-4-10-18(22)23-25-20(17(2)28-23)16-26-15-9-7-12-21(26)19-11-6-8-14-24-19/h4-6,8,10-11,13-14,21H,3,7,9,12,15-16H2,1-2H3
• InChIKey: JLNQOZDZLRRUAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8329804
• LogD (pH = 7.4): 3.9407315
• Log P: 4.012069
• Molar Refractivity: 120.0718 cm^3
• Polarizability: 43.26074 Å^3
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.41
• LOG S: -4.34
• Polar Surface Area: 51.39 Å^2
• Rotatable Bonds: 4