ChemSpider 2D Image | 2-{[(2-Methyl-2-propanyl)oxy]methyl}-5-oxo-2,3-dihydro-5H-[1,3]oxazolo[3,2-a]pyrimidine-6-carbonitrile | C12H15N3O3

2-{[(2-Methyl-2-propanyl)oxy]methyl}-5-oxo-2,3-dihydro-5H-[1,3]oxazolo[3,2-a]pyrimidine-6-carbonitrile

  • Molecular FormulaC12H15N3O3
  • Average mass249.266 Da
  • Monoisotopic mass249.111343 Da
  • ChemSpider ID21105780

More details:

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

2-{[(2-Methyl-2-propanyl)oxy]methyl}-5-oxo-2,3-dihydro-5H-[1,3]oxazolo[3,2-a]pyrimidin-6-carbonitril [German] [ACD/IUPAC Name]
2-{[(2-Methyl-2-propanyl)oxy]methyl}-5-oxo-2,3-dihydro-5H-[1,3]oxazolo[3,2-a]pyrimidine-6-carbonitrile [ACD/IUPAC Name]
2-{[(2-Méthyl-2-propanyl)oxy]méthyl}-5-oxo-2,3-dihydro-5H-[1,3]oxazolo[3,2-a]pyrimidine-6-carbonitrile [French] [ACD/IUPAC Name]
5H-Oxazolo[3,2-a]pyrimidine-6-carbonitrile, 2-[(1,1-dimethylethoxy)methyl]-2,3-dihydro-5-oxo- [ACD/Index Name]
2-(tert-butoxymethyl)-5-oxo-2,3-dihydro-5H-[1,3]oxazolo[3,2-a]pyrimidine-6-carbonitrile

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

Density: 1.3±0.1 g/cm3
Boiling Point: 329.4±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 153.0±30.7 °C
Index of Refraction: 1.587
Molar Refractivity: 65.3±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.29
ACD/LogD (pH 5.5): 0.29
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 34.12
ACD/LogD (pH 7.4): 0.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 34.12
Polar Surface Area: 75 Å2
Polarizability: 25.9±0.5 10-24cm3
Surface Tension: 46.0±7.0 dyne/cm
Molar Volume: 194.1±7.0 cm3

Click to predict properties on the Chemicalize site


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