N-ethyl-3,4-dimethoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

• ChemBase ID: 658972
• Molecular Formular: C17H23N3O4
• Molecular Mass: 333.38222
• Monoisotopic Mass: 333.16885623
• SMILES: n1c(noc1CCC)CN(C(=O)c1cc(c(cc1)OC)OC)CC
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)c1ccc(c(c1)OC)OC)CC
• InChI: InChI=1S/C17H23N3O4/c1-5-7-16-18-15(19-24-16)11-20(6-2)17(21)12-8-9-13(22-3)14(10-12)23-4/h8-10H,5-7,11H2,1-4H3
• InChIKey: WZPUDAFGGPMRPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3,4-dimethoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
• IUPAC Traditional name: N-ethyl-3,4-dimethoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
• Synonyms: N-ethyl-3,4-dimethoxy-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.4735343
• LogD (pH = 7.4): 2.4735346
• Log P: 2.4735346
• Molar Refractivity: 91.0128 cm^3
• Polarizability: 33.9227 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.9
• LOG S: -3.25
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 8