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

• ChemBase ID: 666177
• Molecular Formular: C16H12F2N4O
• Molecular Mass: 314.2894864
• Monoisotopic Mass: 314.09791746
• SMILES: c12c(noc1CCN(C2)c1nccnc1)c1cc(c(cc1)F)F
• Canonical SMILES: Fc1ccc(cc1F)c1noc2c1CN(CC2)c1cnccn1
• InChI: InChI=1S/C16H12F2N4O/c17-12-2-1-10(7-13(12)18)16-11-9-22(6-3-14(11)23-21-16)15-8-19-4-5-20-15/h1-2,4-5,7-8H,3,6,9H2
• InChIKey: NMZMQEPQRBBAHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3789842
• LogD (pH = 7.4): 2.3790872
• Log P: 2.3790886
• Molar Refractivity: 81.0354 cm^3
• Polarizability: 30.291162 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: 1.57
• LOG S: -2.83
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 2