ChemSpider 2D Image | Ethyl 4-[(2-methyl-3-nitrophenyl)amino][1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate | C15H13N5O5

Ethyl 4-[(2-methyl-3-nitrophenyl)amino][1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

  • Molecular FormulaC15H13N5O5
  • Average mass343.294 Da
  • Monoisotopic mass343.091675 Da
  • ChemSpider ID21472202

More details:

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

4-[(2-Méthyl-3-nitrophényl)amino][1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 4-[(2-methyl-3-nitrophenyl)amino][1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate [ACD/IUPAC Name]
Ethyl-4-[(2-methyl-3-nitrophenyl)amino][1,2]oxazolo[5,4-d]pyrimidin-3-carboxylat [German] [ACD/IUPAC Name]
Isoxazolo[5,4-d]pyrimidine-3-carboxylic acid, 4-[(2-methyl-3-nitrophenyl)amino]-, ethyl ester [ACD/Index Name]
ethyl 4-[(2-methyl-3-nitrophenyl)amino]isoxazolo[5,4-d]pyrimidine-3-carboxylate

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

Density: 1.5±0.1 g/cm3
Boiling Point: 527.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 273.0±30.1 °C
Index of Refraction: 1.672
Molar Refractivity: 87.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 2.45
ACD/LogD (pH 5.5): 2.50
ACD/BCF (pH 5.5): 46.49
ACD/KOC (pH 5.5): 543.24
ACD/LogD (pH 7.4): 2.50
ACD/BCF (pH 7.4): 46.52
ACD/KOC (pH 7.4): 543.65
Polar Surface Area: 136 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 70.1±3.0 dyne/cm
Molar Volume: 234.6±3.0 cm3

Click to predict properties on the Chemicalize site


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