N-ethyl-3,6-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxamide

• ChemBase ID: 690295
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(oc2c(c1C)ccc(c2)C)C(=O)N(Cc1nc(on1)CCC)CC
• Canonical SMILES: CCCc1onc(n1)CN(C(=O)c1oc2c(c1C)ccc(c2)C)CC
• InChI: InChI=1S/C19H23N3O3/c1-5-7-17-20-16(21-25-17)11-22(6-2)19(23)18-13(4)14-9-8-12(3)10-15(14)24-18/h8-10H,5-7,11H2,1-4H3
• InChIKey: AXDUDTNQFJFVAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3,6-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxamide
• IUPAC Traditional name: N-ethyl-3,6-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxamide
• Synonyms: N-ethyl-3,6-dimethyl-N-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.01621
• LogD (pH = 7.4): 4.01621
• Log P: 4.01621
• Molar Refractivity: 96.8874 cm^3
• Polarizability: 36.746197 Å^3
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.56
• LOG S: -4.73
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 6