3-[3-(4-chlorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-ol

• ChemBase ID: 640190
• Molecular Formular: C18H14ClN3O3
• Molecular Mass: 355.77506
• Monoisotopic Mass: 355.072369
• SMILES: c12c(noc2CCN(C(=O)c2c(nccc2)O)C1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1noc2c1CN(CC2)C(=O)c1cccnc1O
• InChI: InChI=1S/C18H14ClN3O3/c19-12-5-3-11(4-6-12)16-14-10-22(9-7-15(14)25-21-16)18(24)13-2-1-8-20-17(13)23/h1-6,8H,7,9-10H2,(H,20,23)
• InChIKey: SRYAWCNMLIXZHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(4-chlorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-ol
• IUPAC Traditional name: 3-[3-(4-chlorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]pyridin-2-ol
• Synonyms: 3-{[3-(4-chlorophenyl)-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl]carbonyl}pyridin-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.013571
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.4517531
• LogD (pH = 7.4): 3.4507434
• Log P: 3.451785
• Molar Refractivity: 93.9884 cm^3
• Polarizability: 36.080482 Å^3
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.56
• LOG S: -2.27
• Polar Surface Area: 79.46 Å^2
• Rotatable Bonds: 2