4-{[2-(3-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]methyl}-3,5-dimethyl-1,2-oxazole

• ChemBase ID: 589785
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: n1c2c([nH]c1c1cc(OC)ccc1)CCN(Cc1c(onc1C)C)C2
• Canonical SMILES: COc1cccc(c1)c1[nH]c2c(n1)CN(CC2)Cc1c(C)noc1C
• InChI: InChI=1S/C19H22N4O2/c1-12-16(13(2)25-22-12)10-23-8-7-17-18(11-23)21-19(20-17)14-5-4-6-15(9-14)24-3/h4-6,9H,7-8,10-11H2,1-3H3,(H,20,21)
• InChIKey: DPLQOVMEMAQQEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.192297
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.74792635
• LogD (pH = 7.4): 1.8270503
• Log P: 1.8958817
• Molar Refractivity: 107.6914 cm^3
• Polarizability: 37.103333 Å^3
• Polar Surface Area: 67.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.11
• LOG S: -2.45
• Polar Surface Area: 67.18 Å^2
• Rotatable Bonds: 4