2-({2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-N-(pyrazin-2-yl)acetamide

• ChemBase ID: 471592
• Molecular Formular: C16H15ClN6O2
• Molecular Mass: 358.7823
• Monoisotopic Mass: 358.09450143
• SMILES: n1c(noc1CCNCC(=O)Nc1nccnc1)c1ccc(cc1)Cl
• Canonical SMILES: O=C(Nc1cnccn1)CNCCc1onc(n1)c1ccc(cc1)Cl
• InChI: InChI=1S/C16H15ClN6O2/c17-12-3-1-11(2-4-12)16-22-15(25-23-16)5-6-18-10-14(24)21-13-9-19-7-8-20-13/h1-4,7-9,18H,5-6,10H2,(H,20,21,24)
• InChIKey: QFADAQLLCFQSMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-N-(pyrazin-2-yl)acetamide
• IUPAC Traditional name: 2-({2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-N-(pyrazin-2-yl)acetamide
• Synonyms: 2-({2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl}amino)-N-pyrazin-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.338094
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.5069749
• LogD (pH = 7.4): 1.2161453
• Log P: 1.7675325
• Molar Refractivity: 104.526 cm^3
• Polarizability: 35.456142 Å^3
• Polar Surface Area: 105.83 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 1.29
• LOG S: -2.92
• Polar Surface Area: 105.83 Å^2
• Rotatable Bonds: 7