N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

• ChemBase ID: 684992
• Molecular Formular: C15H17N3O3
• Molecular Mass: 287.31378
• Monoisotopic Mass: 287.12699142
• SMILES: n1c(onc1CC)C(NC(=O)c1cc2c(OCC2)cc1)C
• Canonical SMILES: CCc1noc(n1)C(NC(=O)c1ccc2c(c1)CCO2)C
• InChI: InChI=1S/C15H17N3O3/c1-3-13-17-15(21-18-13)9(2)16-14(19)11-4-5-12-10(8-11)6-7-20-12/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,19)
• InChIKey: OYZGNHGBXFLPSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
• IUPAC Traditional name: N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
• Synonyms: N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.71795
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2203915
• LogD (pH = 7.4): 2.2203915
• Log P: 2.2203915
• Molar Refractivity: 78.1068 cm^3
• Polarizability: 28.754477 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: 1.62
• LOG S: -3.68
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 3