ChemSpider 2D Image | (S)-3-Methyl-5-(2-pyrrolidinyl)-1,2,4-oxadiazole | C7H11N3O

(S)-3-Methyl-5-(2-pyrrolidinyl)-1,2,4-oxadiazole

  • Molecular FormulaC7H11N3O
  • Average mass153.182 Da
  • Monoisotopic mass153.090210 Da
  • ChemSpider ID26403686

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(S)-3-Methyl-5-(2-pyrrolidinyl)-1,2,4-oxadiazole
1,2,4-Oxadiazole, 3-methyl-5-[(2S)-2-pyrrolidinyl]- [ACD/Index Name]
343246-61-7 [RN]
3-Methyl-5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
3-Methyl-5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazole [ACD/IUPAC Name]
3-Méthyl-5-[(2S)-2-pyrrolidinyl]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
(s)-3-methyl-5-(pyrrolidin-2-yl)-1,2,4-oxadiazole
[343246-61-7] [RN]
1,2,4-Oxadiazole, 3-methyl-5-(2S)-2-pyrrolidinyl-
106910-83-2 [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 280.8±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.0±3.0 kJ/mol
    Flash Point: 123.6±30.1 °C
    Index of Refraction: 1.500
    Molar Refractivity: 39.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: -0.51
    ACD/LogD (pH 5.5): -1.72
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.27
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 13.82
    Polar Surface Area: 51 Å2
    Polarizability: 15.7±0.5 10-24cm3
    Surface Tension: 44.0±3.0 dyne/cm
    Molar Volume: 134.4±3.0 cm3

    Click to predict properties on the Chemicalize site


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