5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]quinoxaline

• ChemBase ID: 413355
• Molecular Formular: C14H8N4OS
• Molecular Mass: 280.30452
• Monoisotopic Mass: 280.0418819
• SMILES: n1c(noc1c1c2nccnc2ccc1)c1sccc1
• Canonical SMILES: c1csc(c1)c1noc(n1)c1cccc2c1nccn2
• InChI: InChI=1S/C14H8N4OS/c1-3-9(12-10(4-1)15-6-7-16-12)14-17-13(18-19-14)11-5-2-8-20-11/h1-8H
• InChIKey: GDGXKZLFONXBRR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]quinoxaline
• IUPAC Traditional name: 5-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]quinoxaline
• Synonyms: 5-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]quinoxaline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1474924
• LogD (pH = 7.4): 3.1475112
• Log P: 3.1475115
• Molar Refractivity: 95.4691 cm^3
• Polarizability: 30.41194 Å^3
• Polar Surface Area: 64.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.73
• LOG S: -3.57
• Polar Surface Area: 64.7 Å^2
• Rotatable Bonds: 2