N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-[(2-methylprop-2-en-1-yl)oxy]benzamide

• ChemBase ID: 479897
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: C(=O)(c1c(OCC(=C)C)cccc1)N(Cc1nc(on1)CC)C
• Canonical SMILES: CCc1onc(n1)CN(C(=O)c1ccccc1OCC(=C)C)C
• InChI: InChI=1S/C17H21N3O3/c1-5-16-18-15(19-23-16)10-20(4)17(21)13-8-6-7-9-14(13)22-11-12(2)3/h6-9H,2,5,10-11H2,1,3-4H3
• InChIKey: PNTBGXJZGVPZPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8651307
• LogD (pH = 7.4): 2.8651307
• Log P: 2.8651307
• Molar Refractivity: 88.6447 cm^3
• Polarizability: 32.970566 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.34
• LOG S: -3.5
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7