N-{2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl}thiophene-2-carboxamide

• ChemBase ID: 732761
• Molecular Formular: C14H17N3O3S
• Molecular Mass: 307.36808
• Monoisotopic Mass: 307.09906242
• SMILES: n1c(onc1C1COCC1)C(NC(=O)c1sccc1)(C)C
• Canonical SMILES: O=C(c1cccs1)NC(c1onc(n1)C1COCC1)(C)C
• InChI: InChI=1S/C14H17N3O3S/c1-14(2,16-12(18)10-4-3-7-21-10)13-15-11(17-20-13)9-5-6-19-8-9/h3-4,7,9H,5-6,8H2,1-2H3,(H,16,18)
• InChIKey: XOXBNVHXSVNGJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl}thiophene-2-carboxamide
• IUPAC Traditional name: N-{2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl}thiophene-2-carboxamide
• Synonyms: N-{1-methyl-1-[3-(tetrahydrofuran-3-yl)-1,2,4-oxadiazol-5-yl]ethyl}thiophene-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.944949
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.9456104
• LogD (pH = 7.4): 1.9456103
• Log P: 1.9456104
• Molar Refractivity: 79.306 cm^3
• Polarizability: 29.430378 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.86
• LOG S: -2.18
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 4