ChemSpider 2D Image | Methyl N-[(3-{2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}-1,2,4-oxadiazol-5-yl)carbonyl]-beta-alaninate | C13H15N5O6

Methyl N-[(3-{2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}-1,2,4-oxadiazol-5-yl)carbonyl]-β-alaninate

  • Molecular FormulaC13H15N5O6
  • Average mass337.288 Da
  • Monoisotopic mass337.102234 Da
  • ChemSpider ID26037163

More details:

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

Methyl N-[(3-{2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}-1,2,4-oxadiazol-5-yl)carbonyl]-β-alaninate [ACD/IUPAC Name]
Methyl-N-[(3-{2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl}-1,2,4-oxadiazol-5-yl)carbonyl]-β-alaninat [German] [ACD/IUPAC Name]
N-[(3-{2-[(5-Méthyl-1,2-oxazol-3-yl)amino]-2-oxoéthyl}-1,2,4-oxadiazol-5-yl)carbonyl]-β-alaninate de méthyle [French] [ACD/IUPAC Name]
β-Alanine, N-[[3-[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]-1,2,4-oxadiazol-5-yl]carbonyl]-, methyl ester [ACD/Index Name]
1219571-71-7 [RN]
AGN-PC-085DWW
AKOS005660748
MCULE-8642954748
methyl 3-[[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,2,4-oxadiazole-5-carbonyl]amino]propanoate
MolPort-008-334-098
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.569
    Molar Refractivity: 78.0±0.3 cm3
    #H bond acceptors: 11
    #H bond donors: 2
    #Freely Rotating Bonds: 8
    #Rule of 5 Violations: 1
    ACD/LogP: -1.20
    ACD/LogD (pH 5.5): -0.17
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 19.15
    ACD/LogD (pH 7.4): -0.17
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 19.15
    Polar Surface Area: 149 Å2
    Polarizability: 30.9±0.5 10-24cm3
    Surface Tension: 62.1±3.0 dyne/cm
    Molar Volume: 238.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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