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

• ChemBase ID: 355006
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: c1(C2c3c([nH]cn3)CCN2CCOCc2ccccc2)onc(c1)C
• Canonical SMILES: Cc1noc(c1)C1N(CCOCc2ccccc2)CCc2c1nc[nH]2
• InChI: InChI=1S/C19H22N4O2/c1-14-11-17(25-22-14)19-18-16(20-13-21-18)7-8-23(19)9-10-24-12-15-5-3-2-4-6-15/h2-6,11,13,19H,7-10,12H2,1H3,(H,20,21)
• InChIKey: UXDIFLMCKWFFCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.912578
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.74538344
• LogD (pH = 7.4): 1.5861667
• Log P: 1.6386763
• Molar Refractivity: 96.2558 cm^3
• Polarizability: 36.525787 Å^3
• Polar Surface Area: 67.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.96
• LOG S: -1.47
• Polar Surface Area: 67.18 Å^2
• Rotatable Bonds: 6