ChemSpider 2D Image | (3S)-1-[3-(aminomethyl)-1,2,4-oxadiazole-5-carbonyl]pyrrolidin-3-ol | C8H12N4O3

(3S)-1-[3-(aminomethyl)-1,2,4-oxadiazole-5-carbonyl]pyrrolidin-3-ol

  • Molecular FormulaC8H12N4O3
  • Average mass212.206 Da
  • Monoisotopic mass212.090942 Da
  • ChemSpider ID21800282

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3S)-1-[3-(aminomethyl)-1,2,4-oxadiazole-5-carbonyl]pyrrolidin-3-ol
(S)-(3-(aminomethyl)-1,2,4-oxadiazol-5-yl)(3-hydroxypyrrolidin-1-yl)methanone
[3-(Aminomethyl)-1,2,4-oxadiazol-5-yl][(3S)-3-hydroxy-1-pyrrolidinyl]methanon [German] [ACD/IUPAC Name]
[3-(Aminomethyl)-1,2,4-oxadiazol-5-yl][(3S)-3-hydroxy-1-pyrrolidinyl]methanone [ACD/IUPAC Name]
[3-(Aminométhyl)-1,2,4-oxadiazol-5-yl][(3S)-3-hydroxy-1-pyrrolidinyl]méthanone [French] [ACD/IUPAC Name]
[3-(aminomethyl)-1,2,4-oxadiazol-5-yl][(3S)-3-hydroxypyrrolidin-1-yl]methanone
1186662-39-4 [RN]
Methanone, [3-(aminomethyl)-1,2,4-oxadiazol-5-yl][(3S)-3-hydroxy-1-pyrrolidinyl]- [ACD/Index Name]
(3S)-1-([3-(AMINOMETHYL)-1,2,4-OXADIAZOL-5-YL]CARBONYL)PYRROLIDIN-3-OL
(3S)-1-{[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]carbonyl}pyrrolidin-3-ol
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD12026798 [DBID]

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 415.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 70.5±3.0 kJ/mol
    Flash Point: 204.9±31.5 °C
    Index of Refraction: 1.619
    Molar Refractivity: 50.2±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 3
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: -2.94
    ACD/LogD (pH 5.5): -2.51
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.15
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.60
    Polar Surface Area: 105 Å2
    Polarizability: 19.9±0.5 10-24cm3
    Surface Tension: 85.8±3.0 dyne/cm
    Molar Volume: 143.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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