N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(pyrrolidin-1-yl)acetamide

• ChemBase ID: 660386
• Molecular Formular: C13H20N4O2
• Molecular Mass: 264.3235
• Monoisotopic Mass: 264.1586259
• SMILES: n1c(noc1CCNC(=O)CN1CCCC1)C1CC1
• Canonical SMILES: O=C(CN1CCCC1)NCCc1onc(n1)C1CC1
• InChI: InChI=1S/C13H20N4O2/c18-11(9-17-7-1-2-8-17)14-6-5-12-15-13(16-19-12)10-3-4-10/h10H,1-9H2,(H,14,18)
• InChIKey: UNZDFUMGHPMMOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyrrolidin-1-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.8601675
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5784336
• LogD (pH = 7.4): 0.14550588
• Log P: 0.65290767
• Molar Refractivity: 71.6113 cm^3
• Polarizability: 26.939762 Å^3
• Polar Surface Area: 71.26 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: -0.02
• LOG S: -2.42
• Polar Surface Area: 71.26 Å^2
• Rotatable Bonds: 6