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ChemSpider 2D Image | 3-[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1,2,4-oxadiazole-5-carboxylic acid | C9H13N3O5

3-[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1,2,4-oxadiazole-5-carboxylic acid

  • Molecular FormulaC9H13N3O5
  • Average mass243.217 Da
  • Monoisotopic mass243.085526 Da
  • ChemSpider ID26519206

More details:

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

1,2,4-Oxadiazole-5-carboxylic acid, 3-[[[(1,1-dimethylethoxy)carbonyl]amino]methyl]- [ACD/Index Name]
3-[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1,2,4-oxadiazol-5-carbonsäure [German] [ACD/IUPAC Name]
3-[({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)methyl]-1,2,4-oxadiazole-5-carboxylic acid [ACD/IUPAC Name]
Acide 3-[({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)méthyl]-1,2,4-oxadiazole-5-carboxylique [French] [ACD/IUPAC Name]
3-(((tert-Butoxycarbonyl)amino)methyl)-1,2,4-oxadiazole-5-carboxylic acid
3-({[(tert-butoxy)carbonyl]amino}methyl)-1,2,4-oxadiazole-5-carboxylic acid
3-(tert-Butoxycarbonylamino-methyl)-[1,2,4]oxadiazole-5-carboxylic acid
3-[(tert-butoxycarbonylamino)methyl]-1,2,4-oxadiazole-5-carboxylic acid
3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2,4-oxadiazole-5-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.516
Molar Refractivity: 55.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.30
ACD/LogD (pH 5.5): -2.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 21.8±0.5 10-24cm3
Surface Tension: 54.3±3.0 dyne/cm
Molar Volume: 182.4±3.0 cm3

Click to predict properties on the Chemicalize site