ChemSpider 2D Image | (S)-tert-butyl 2-(5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate | C18H20N4O3

(S)-tert-butyl 2-(5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate

  • Molecular FormulaC18H20N4O3
  • Average mass340.376 Da
  • Monoisotopic mass340.153534 Da
  • ChemSpider ID23499499

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-tert-butyl 2-(5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate
1260605-21-7 [RN]
MFCD11111500
tert-Butyl (2S)-2-[5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidine-1-carboxylate
tert-butyl (S)-2-(5-(3-cyanophenyl)-1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 503.5±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.3 mmHg at 25°C
    Enthalpy of Vaporization: 77.3±3.0 kJ/mol
    Flash Point: 258.3±32.9 °C
    Index of Refraction: 1.587
    Molar Refractivity: 89.5±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 1.03
    ACD/LogD (pH 5.5): 2.45
    ACD/BCF (pH 5.5): 43.15
    ACD/KOC (pH 5.5): 515.19
    ACD/LogD (pH 7.4): 2.45
    ACD/BCF (pH 7.4): 43.15
    ACD/KOC (pH 7.4): 515.19
    Polar Surface Area: 92 Å2
    Polarizability: 35.5±0.5 10-24cm3
    Surface Tension: 62.0±5.0 dyne/cm
    Molar Volume: 266.2±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement