ChemSpider 2D Image | 2-Methyl-2-propanyl 4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinecarboxylate | C19H26N4O3

2-Methyl-2-propanyl 4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinecarboxylate

  • Molecular FormulaC19H26N4O3
  • Average mass358.435 Da
  • Monoisotopic mass358.200500 Da
  • ChemSpider ID27420184

More details:

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

1-Piperazinecarboxylic acid, 4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-piperazincarboxylat [German] [ACD/IUPAC Name]
4-{[3-(4-Méthylphényl)-1,2,4-oxadiazol-5-yl]méthyl}-1-pipérazinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1169982-16-4 [RN]
1-piperazinecarboxylic acid, 4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl], 1,1-dimethylethyl ester
MFCD14281571 [MDL number]
tert-Butyl 4-((3-(p-tolyl)-1,2,4-oxadiazol-5-yl)methyl)piperazine-1-carboxylate
tert-butyl 4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carboxylate
tert-butyl 4-{[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}piperazine-1-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 485.1±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 75.1±3.0 kJ/mol
    Flash Point: 247.2±31.5 °C
    Index of Refraction: 1.552
    Molar Refractivity: 97.5±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 3.95
    ACD/LogD (pH 5.5): 3.35
    ACD/BCF (pH 5.5): 208.00
    ACD/KOC (pH 5.5): 1585.64
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 209.11
    ACD/KOC (pH 7.4): 1594.11
    Polar Surface Area: 72 Å2
    Polarizability: 38.6±0.5 10-24cm3
    Surface Tension: 48.8±3.0 dyne/cm
    Molar Volume: 304.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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