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

• ChemBase ID: 740706
• Molecular Formular: C22H18N4O2
• Molecular Mass: 370.40392
• Monoisotopic Mass: 370.14297584
• SMILES: c1(C(=O)N2Cc3nc([nH]c3CC2)c2ccccc2)cc(no1)c1ccccc1
• Canonical SMILES: O=C(N1CCc2c(C1)nc([nH]2)c1ccccc1)c1onc(c1)c1ccccc1
• InChI: InChI=1S/C22H18N4O2/c27-22(20-13-18(25-28-20)15-7-3-1-4-8-15)26-12-11-17-19(14-26)24-21(23-17)16-9-5-2-6-10-16/h1-10,13H,11-12,14H2,(H,23,24)
• InChIKey: XWTLHWZSYQVKQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-5-{2-phenyl-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1,2-oxazole
• IUPAC Traditional name: 3-phenyl-5-{2-phenyl-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl}-1,2-oxazole
• Synonyms: 2-phenyl-5-[(3-phenylisoxazol-5-yl)carbonyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.739893
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.796683
• LogD (pH = 7.4): 3.0282717
• Log P: 3.0322938
• Molar Refractivity: 116.4578 cm^3
• Polarizability: 41.581146 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.25
• LOG S: -2.96
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 3