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

• ChemBase ID: 854523
• Molecular Formular: C16H17ClN4O3
• Molecular Mass: 348.78418
• Monoisotopic Mass: 348.0989181
• SMILES: n1c(noc1CCNC(=O)CN1C(=O)CCC1)c1ccc(cc1)Cl
• Canonical SMILES: O=C(CN1CCCC1=O)NCCc1onc(n1)c1ccc(cc1)Cl
• InChI: InChI=1S/C16H17ClN4O3/c17-12-5-3-11(4-6-12)16-19-14(24-20-16)7-8-18-13(22)10-21-9-1-2-15(21)23/h3-6H,1-2,7-10H2,(H,18,22)
• InChIKey: SIPITYWSFYJMER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.546025
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.464292
• LogD (pH = 7.4): 1.464292
• Log P: 1.464292
• Molar Refractivity: 99.4291 cm^3
• Polarizability: 34.086517 Å^3
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.12
• LOG S: -2.84
• Polar Surface Area: 88.33 Å^2
• Rotatable Bonds: 6