3-[3-(3,4-difluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridazine

• ChemBase ID: 424090
• Molecular Formular: C17H14F2N4O
• Molecular Mass: 328.3160664
• Monoisotopic Mass: 328.11356753
• SMILES: c12c(noc1CCN(C2)c1nnc(cc1)C)c1cc(c(cc1)F)F
• Canonical SMILES: Cc1ccc(nn1)N1CCc2c(C1)c(no2)c1ccc(c(c1)F)F
• InChI: InChI=1S/C17H14F2N4O/c1-10-2-5-16(21-20-10)23-7-6-15-12(9-23)17(22-24-15)11-3-4-13(18)14(19)8-11/h2-5,8H,6-7,9H2,1H3
• InChIKey: OEJQSTJBOIZGOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[3-(3,4-difluorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridazine
• IUPAC Traditional name: 3-[3-(3,4-difluorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-6-methylpyridazine
• Synonyms: 3-(3,4-difluorophenyl)-5-(6-methylpyridazin-3-yl)-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7178183
• LogD (pH = 7.4): 2.747963
• Log P: 2.7483613
• Molar Refractivity: 87.6471 cm^3
• Polarizability: 32.05448 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.48
• LOG S: -2.86
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 2