ChemSpider 2D Image | (4-Methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate | C16H14N6O4

(4-Methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate

  • Molecular FormulaC16H14N6O4
  • Average mass354.320 Da
  • Monoisotopic mass354.107666 Da
  • ChemSpider ID22802070

More details:

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

(4-Methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]chinazolin-1-yl)methyl-5-amino-3-methyl-1,2-oxazol-4-carboxylat [German] [ACD/IUPAC Name]
(4-Methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl 5-amino-3-methyl-1,2-oxazole-4-carboxylate [ACD/IUPAC Name]
4-Isoxazolecarboxylic acid, 5-amino-3-methyl-, (4,5-dihydro-4-methyl-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-1-yl)methyl ester [ACD/Index Name]
5-Amino-3-méthyl-1,2-oxazole-4-carboxylate de (4-méthyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazolin-1-yl)méthyle [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 701.3±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.7±3.0 kJ/mol
Flash Point: 377.9±35.7 °C
Index of Refraction: 1.771
Molar Refractivity: 89.2±0.5 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 2.33
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 11.57
ACD/KOC (pH 5.5): 200.81
ACD/LogD (pH 7.4): 1.70
ACD/BCF (pH 7.4): 11.57
ACD/KOC (pH 7.4): 200.82
Polar Surface Area: 129 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 71.0±7.0 dyne/cm
Molar Volume: 214.4±7.0 cm3

Click to predict properties on the Chemicalize site


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