1-[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propyl]pyrrolidin-2-one

• ChemBase ID: 476815
• Molecular Formular: C14H21N3O2
• Molecular Mass: 263.33544
• Monoisotopic Mass: 263.16337693
• SMILES: n1c(noc1CCCN1C(=O)CCC1)C1CCCC1
• Canonical SMILES: O=C1CCCN1CCCc1onc(n1)C1CCCC1
• InChI: InChI=1S/C14H21N3O2/c18-13-8-4-10-17(13)9-3-7-12-15-14(16-19-12)11-5-1-2-6-11/h11H,1-10H2
• InChIKey: CNWCKPNQCUZXJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9188858
• LogD (pH = 7.4): 1.9188858
• Log P: 1.9188858
• Molar Refractivity: 72.3903 cm^3
• Polarizability: 27.242088 Å^3
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.03
• LOG S: -2.0
• Polar Surface Area: 59.23 Å^2
• Rotatable Bonds: 5