ChemSpider 2D Image | 5-Methyl-2-[(1S)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,3-oxazole-4-carboxylic acid | C12H18N2O5

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

  • Molecular FormulaC12H18N2O5
  • Average mass270.282 Da
  • Monoisotopic mass270.121582 Da
  • ChemSpider ID32841941

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-Oxazolecarboxylic acid, 2-[(1S)-1-[[(1,1-dimethylethoxy)carbonyl]amino]ethyl]-5-methyl- [ACD/Index Name]
5-Methyl-2-[(1S)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,3-oxazol-4-carbonsäure [German] [ACD/IUPAC Name]
5-Methyl-2-[(1S)-1-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-1,3-oxazole-4-carboxylic acid [ACD/IUPAC Name]
Acide 5-méthyl-2-[(1S)-1-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)éthyl]-1,3-oxazole-4-carboxylique [French] [ACD/IUPAC Name]
2-[(1S)-1-{[(tert-butoxy)carbonyl]amino}ethyl]-5-methyl-1,3-oxazole-4-carboxylic acid
2-{(1S)-1-[(tert-butoxycarbonyl)amino]ethyl}-5-methyl-1,3-oxazole-4-carboxylic acid
2-{(1S)-1-[(tert-butoxycarbonyl)-amino]ethyl}-5-methyl-1,3-oxazole-4-carboxylic acid
205648-17-5 [RN]
MFCD23097141
TS-7479

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

Density: 1.2±0.1 g/cm3
Boiling Point: 415.6±35.0 °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: 205.2±25.9 °C
Index of Refraction: 1.509
Molar Refractivity: 66.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): -0.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.61
ACD/LogD (pH 7.4): -1.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 45.1±3.0 dyne/cm
Molar Volume: 222.7±3.0 cm3

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