3-[(4-fluorophenyl)methyl]-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 369278
• Molecular Formular: C20H17FN4O2
• Molecular Mass: 364.3729832
• Monoisotopic Mass: 364.13355402
• SMILES: c12n(cc(n1)CNC(=O)c1cc(no1)Cc1ccc(F)cc1)ccc(c2)C
• Canonical SMILES: Fc1ccc(cc1)Cc1noc(c1)C(=O)NCc1cn2c(n1)cc(cc2)C
• InChI: InChI=1S/C20H17FN4O2/c1-13-6-7-25-12-17(23-19(25)8-13)11-22-20(26)18-10-16(24-27-18)9-14-2-4-15(21)5-3-14/h2-8,10,12H,9,11H2,1H3,(H,22,26)
• InChIKey: PQZXGBKLQOQTES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-fluorophenyl)methyl]-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: 3-[(4-fluorophenyl)methyl]-N-({7-methylimidazo[1,2-a]pyridin-2-yl}methyl)-1,2-oxazole-5-carboxamide
• Synonyms: 3-(4-fluorobenzyl)-N-[(7-methylimidazo[1,2-a]pyridin-2-yl)methyl]-5-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.294287
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9913332
• LogD (pH = 7.4): 2.5310917
• Log P: 2.5461907
• Molar Refractivity: 99.8924 cm^3
• Polarizability: 36.36499 Å^3
• Polar Surface Area: 72.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.16
• LOG S: -6.09
• Polar Surface Area: 72.43 Å^2
• Rotatable Bonds: 5