ChemSpider 2D Image | 3-{5-[(Isobutylamino)methyl]-1,2,4-oxadiazol-3-yl}benzamide | C14H18N4O2

3-{5-[(Isobutylamino)methyl]-1,2,4-oxadiazol-3-yl}benzamide

  • Molecular FormulaC14H18N4O2
  • Average mass274.318 Da
  • Monoisotopic mass274.142975 Da
  • ChemSpider ID21800294

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1119450-73-5 [RN]
3-(5-{[(2-methylpropyl)amino]methyl}-1,2,4-oxadiazol-3-yl)benzamide
3-{5-[(Isobutylamino)methyl]-1,2,4-oxadiazol-3-yl}benzamid [German] [ACD/IUPAC Name]
3-{5-[(Isobutylamino)methyl]-1,2,4-oxadiazol-3-yl}benzamide [ACD/IUPAC Name]
3-{5-[(Isobutylamino)méthyl]-1,2,4-oxadiazol-3-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[5-[[(2-methylpropyl)amino]methyl]-1,2,4-oxadiazol-3-yl]- [ACD/Index Name]
3-(5-((Isobutylamino)methyl)-1,2,4-oxadiazol-3-yl)benzamide
3-(5-[(Isobutylamino)methyl]-1,2,4-oxadiazol-3-yl)benzamide
3-[5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazol-3-yl]benzamide

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12026810 [DBID]

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 453.3±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.3±3.0 kJ/mol
    Flash Point: 228.0±31.5 °C
    Index of Refraction: 1.556
    Molar Refractivity: 75.3±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.98
    ACD/LogD (pH 5.5): -0.04
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 6.24
    ACD/LogD (pH 7.4): 1.12
    ACD/BCF (pH 7.4): 3.96
    ACD/KOC (pH 7.4): 88.48
    Polar Surface Area: 94 Å2
    Polarizability: 29.8±0.5 10-24cm3
    Surface Tension: 48.7±3.0 dyne/cm
    Molar Volume: 234.2±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement