ChemSpider 2D Image | 3-[5-[(Propylamino)methyl]-1,2,4-oxadiazol-3-yl]benzamide | C13H16N4O2

3-[5-[(Propylamino)methyl]-1,2,4-oxadiazol-3-yl]benzamide

  • Molecular FormulaC13H16N4O2
  • Average mass260.292 Da
  • Monoisotopic mass260.127319 Da
  • ChemSpider ID21800292

More details:

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

1119449-54-5 [RN]
3-[5-[(Propylamino)methyl]-1,2,4-oxadiazol-3-yl]benzamide
3-{5-[(Propylamino)methyl]-1,2,4-oxadiazol-3-yl}benzamid [German] [ACD/IUPAC Name]
3-{5-[(Propylamino)methyl]-1,2,4-oxadiazol-3-yl}benzamide [ACD/IUPAC Name]
3-{5-[(Propylamino)méthyl]-1,2,4-oxadiazol-3-yl}benzamide [French] [ACD/IUPAC Name]
Benzamide, 3-[5-[(propylamino)methyl]-1,2,4-oxadiazol-3-yl]- [ACD/Index Name]
3-(5-((Propylamino)methyl)-1,2,4-oxadiazol-3-yl)benzamide
3-(5-[(Propylamino)methyl]-1,2,4-oxadiazol-3-yl)benzamide
3-[5-(propylaminomethyl)-1,2,4-oxadiazol-3-yl]benzamide

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

MFCD12026808 [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: 450.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 70.9±3.0 kJ/mol
    Flash Point: 226.2±31.5 °C
    Index of Refraction: 1.564
    Molar Refractivity: 70.7±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 1.63
    ACD/LogD (pH 5.5): -0.46
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.66
    ACD/LogD (pH 7.4): 0.69
    ACD/BCF (pH 7.4): 1.88
    ACD/KOC (pH 7.4): 51.85
    Polar Surface Area: 94 Å2
    Polarizability: 28.0±0.5 10-24cm3
    Surface Tension: 51.3±3.0 dyne/cm
    Molar Volume: 217.3±3.0 cm3

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