N-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl}acetamide

• ChemBase ID: 498309
• Molecular Formular: C11H17N3O3
• Molecular Mass: 239.27098
• Monoisotopic Mass: 239.12699142
• SMILES: n1c(noc1CCCNC(=O)C)C1COCC1
• Canonical SMILES: CC(=O)NCCCc1onc(n1)C1COCC1
• InChI: InChI=1S/C11H17N3O3/c1-8(15)12-5-2-3-10-13-11(14-17-10)9-4-6-16-7-9/h9H,2-7H2,1H3,(H,12,15)
• InChIKey: BWKIHMMEKXUARS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl}acetamide
• IUPAC Traditional name: N-{3-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propyl}acetamide
• Synonyms: N-{3-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]propyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.976303
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.02347446
• LogD (pH = 7.4): -0.023474412
• Log P: -0.0234744
• Molar Refractivity: 61.9928 cm^3
• Polarizability: 23.204973 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.2
• LOG S: -1.23
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 5