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

• ChemBase ID: 850120
• Molecular Formular: C17H21N3O3
• Molecular Mass: 315.36694
• Monoisotopic Mass: 315.15829155
• SMILES: n1c(onc1C)C(NC(=O)c1c(OCC(=C)C)cccc1)CC
• Canonical SMILES: CCC(c1onc(n1)C)NC(=O)c1ccccc1OCC(=C)C
• InChI: InChI=1S/C17H21N3O3/c1-5-14(17-18-12(4)20-23-17)19-16(21)13-8-6-7-9-15(13)22-10-11(2)3/h6-9,14H,2,5,10H2,1,3-4H3,(H,19,21)
• InChIKey: ALASRVFGFYPIQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.781653
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9982786
• LogD (pH = 7.4): 2.9982784
• Log P: 2.9982786
• Molar Refractivity: 88.139 cm^3
• Polarizability: 32.970398 Å^3
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.59
• LOG S: -3.71
• Polar Surface Area: 77.25 Å^2
• Rotatable Bonds: 7