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

• ChemBase ID: 758241
• Molecular Formular: C21H22ClN3O
• Molecular Mass: 367.87188
• Monoisotopic Mass: 367.14514002
• SMILES: n1c(c(oc1c1ccc(cc1)Cl)C)CN1C(c2ncccc2)CCCC1
• Canonical SMILES: Clc1ccc(cc1)c1oc(c(n1)CN1CCCCC1c1ccccn1)C
• InChI: InChI=1S/C21H22ClN3O/c1-15-19(24-21(26-15)16-8-10-17(22)11-9-16)14-25-13-5-3-7-20(25)18-6-2-4-12-23-18/h2,4,6,8-12,20H,3,5,7,13-14H2,1H3
• InChIKey: IKGQLUOQJFFSBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1902666
• LogD (pH = 7.4): 4.337511
• Log P: 4.416977
• Molar Refractivity: 113.6648 cm^3
• Polarizability: 40.75229 Å^3
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.16
• LOG S: -4.86
• Polar Surface Area: 42.16 Å^2
• Rotatable Bonds: 4