1-cyclopropyl-4-[3-(thiophen-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

• ChemBase ID: 515209
• Molecular Formular: C13H13N3O2S
• Molecular Mass: 275.32622
• Monoisotopic Mass: 275.07284767
• SMILES: n1c(noc1C1CN(C(=O)C1)C1CC1)c1cscc1
• Canonical SMILES: O=C1CC(CN1C1CC1)c1onc(n1)c1cscc1
• InChI: InChI=1S/C13H13N3O2S/c17-11-5-9(6-16(11)10-1-2-10)13-14-12(15-18-13)8-3-4-19-7-8/h3-4,7,9-10H,1-2,5-6H2
• InChIKey: QPOQQPNUNLKSJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7992034
• LogD (pH = 7.4): 1.7992034
• Log P: 1.7992034
• Molar Refractivity: 81.4397 cm^3
• Polarizability: 27.08597 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.56
• LOG S: -1.69
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 3