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

• ChemBase ID: 794980
• Molecular Formular: C19H23N3O4
• Molecular Mass: 357.40362
• Monoisotopic Mass: 357.16885623
• SMILES: c1(C(=O)N(Cc2nc(no2)CC)C(C)C)oc2c(c1C)ccc(c2)OC
• Canonical SMILES: CCc1noc(n1)CN(C(=O)c1oc2c(c1C)ccc(c2)OC)C(C)C
• InChI: InChI=1S/C19H23N3O4/c1-6-16-20-17(26-21-16)10-22(11(2)3)19(23)18-12(4)14-8-7-13(24-5)9-15(14)25-18/h7-9,11H,6,10H2,1-5H3
• InChIKey: UTNYZWGWJYWQTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3105743
• LogD (pH = 7.4): 3.3105743
• Log P: 3.3105743
• Molar Refractivity: 98.1272 cm^3
• Polarizability: 37.514225 Å^3
• Polar Surface Area: 81.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.99
• LOG S: -3.24
• Polar Surface Area: 81.6 Å^2
• Rotatable Bonds: 3