4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-5-phenyl-1,2-oxazole

• ChemBase ID: 442849
• Molecular Formular: C16H14N4O2
• Molecular Mass: 294.30796
• Monoisotopic Mass: 294.11167571
• SMILES: c1(C(=O)N2Cc3c([nH]cn3)CC2)c(onc1)c1ccccc1
• Canonical SMILES: O=C(c1cnoc1c1ccccc1)N1CCc2c(C1)nc[nH]2
• InChI: InChI=1S/C16H14N4O2/c21-16(20-7-6-13-14(9-20)18-10-17-13)12-8-19-22-15(12)11-4-2-1-3-5-11/h1-5,8,10H,6-7,9H2,(H,17,18)
• InChIKey: ZXHXULJXDHKEPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-5-phenyl-1,2-oxazole
• IUPAC Traditional name: 4-{1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-5-phenyl-1,2-oxazole
• Synonyms: 5-[(5-phenylisoxazol-4-yl)carbonyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.444683
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.090495124
• LogD (pH = 7.4): 0.60501075
• Log P: 0.6216733
• Molar Refractivity: 81.7282 cm^3
• Polarizability: 31.30747 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.59
• LOG S: -2.15
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 2