3-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-5-methyl-1,2-oxazole

• ChemBase ID: 723953
• Molecular Formular: C18H18N4O3
• Molecular Mass: 338.36052
• Monoisotopic Mass: 338.13789046
• SMILES: c1(C(=O)N2Cc3nc([nH]c3CC2)c2cc(OC)ccc2)noc(c1)C
• Canonical SMILES: COc1cccc(c1)c1nc2c([nH]1)CCN(C2)C(=O)c1noc(c1)C
• InChI: InChI=1S/C18H18N4O3/c1-11-8-15(21-25-11)18(23)22-7-6-14-16(10-22)20-17(19-14)12-4-3-5-13(9-12)24-2/h3-5,8-9H,6-7,10H2,1-2H3,(H,19,20)
• InChIKey: LKXOIKFOFATMTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-5-methyl-1,2-oxazole
• IUPAC Traditional name: 3-[2-(3-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridine-5-carbonyl]-5-methyl-1,2-oxazole
• Synonyms: 2-(3-methoxyphenyl)-5-[(5-methylisoxazol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.679011
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2907003
• LogD (pH = 7.4): 1.5033557
• Log P: 1.5069574
• Molar Refractivity: 103.057 cm^3
• Polarizability: 34.92198 Å^3
• Polar Surface Area: 84.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.47
• LOG S: -2.06
• Polar Surface Area: 84.25 Å^2
• Rotatable Bonds: 3