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

• ChemBase ID: 335645
• Molecular Formular: C19H15ClN4O
• Molecular Mass: 350.8016
• Monoisotopic Mass: 350.0934388
• SMILES: c1(nc(c(o1)C)Cn1c(ncc1)c1ncccc1)c1c(Cl)cccc1
• Canonical SMILES: Cc1oc(nc1Cn1ccnc1c1ccccn1)c1ccccc1Cl
• InChI: InChI=1S/C19H15ClN4O/c1-13-17(23-19(25-13)14-6-2-3-7-15(14)20)12-24-11-10-22-18(24)16-8-4-5-9-21-16/h2-11H,12H2,1H3
• InChIKey: TVGWQVYCSXQAFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Log P: 3.8476126
• Molar Refractivity: 116.3381 cm^3
• Polarizability: 37.773983 Å^3
• Polar Surface Area: 56.74 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.8457744
• LogD (pH = 7.4): 3.8475895

供应商提供(Chembridge)

• Log P: 2.97
• LOG S: -4.29
• Polar Surface Area: 56.74 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 0