N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-N,3,6-trimethyl-1-benzofuran-2-carboxamide

• ChemBase ID: 416869
• Molecular Formular: C19H21N3O3
• Molecular Mass: 339.38834
• Monoisotopic Mass: 339.15829155
• SMILES: c1(oc2c(c1C)ccc(c2)C)C(=O)N(CCc1nc(on1)C1CC1)C
• Canonical SMILES: Cc1ccc2c(c1)oc(c2C)C(=O)N(CCc1noc(n1)C1CC1)C
• InChI: InChI=1S/C19H21N3O3/c1-11-4-7-14-12(2)17(24-15(14)10-11)19(23)22(3)9-8-16-20-18(25-21-16)13-5-6-13/h4,7,10,13H,5-6,8-9H2,1-3H3
• InChIKey: SSDIGVVEHCFAER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.5031943
• LogD (pH = 7.4): 3.5031943
• Log P: 3.5031943
• Molar Refractivity: 95.0095 cm^3
• Polarizability: 36.022594 Å^3
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.1
• LOG S: -3.47
• Polar Surface Area: 72.37 Å^2
• Rotatable Bonds: 5