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Search term: ASPOEUBLDWPCHM (Found by InChIKey (skeleton match))

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]
methyl 3-[[3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-1,2,4-oxadiazole-5-carbonyl]amino]propanoate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

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

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