2-{5-[2-(2-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl}pyrazine

• ChemBase ID: 682931
• Molecular Formular: C14H11FN4O
• Molecular Mass: 270.2617432
• Monoisotopic Mass: 270.09168921
• SMILES: c1(nc(on1)CCc1c(F)cccc1)c1nccnc1
• Canonical SMILES: Fc1ccccc1CCc1onc(n1)c1cnccn1
• InChI: InChI=1S/C14H11FN4O/c15-11-4-2-1-3-10(11)5-6-13-18-14(19-20-13)12-9-16-7-8-17-12/h1-4,7-9H,5-6H2
• InChIKey: HPUXLVZBYSAQAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5-[2-(2-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl}pyrazine
• IUPAC Traditional name: 2-{5-[2-(2-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl}pyrazine
• Synonyms: 2-{5-[2-(2-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl}pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.649885
• LogD (pH = 7.4): 2.6498854
• Log P: 2.6498854
• Molar Refractivity: 81.3794 cm^3
• Polarizability: 26.75443 Å^3
• Polar Surface Area: 64.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.78
• LOG S: -2.69
• Polar Surface Area: 64.7 Å^2
• Rotatable Bonds: 4