ChemSpider 2D Image | 1-[(5-Methyl-1,2-oxazol-3-yl)amino]-1-oxo-2-propanyl 2-{[(1E)-4,4,4-trifluoro-3-oxo-1-buten-1-yl]amino}benzoate | C18H16F3N3O5

1-[(5-Methyl-1,2-oxazol-3-yl)amino]-1-oxo-2-propanyl 2-{[(1E)-4,4,4-trifluoro-3-oxo-1-buten-1-yl]amino}benzoate

  • Molecular FormulaC18H16F3N3O5
  • Average mass411.332 Da
  • Monoisotopic mass411.104218 Da
  • ChemSpider ID30577608

  • Double-bond stereo - Double-bond stereo

More details:

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

1-[(5-Methyl-1,2-oxazol-3-yl)amino]-1-oxo-2-propanyl 2-{[(1E)-4,4,4-trifluoro-3-oxo-1-buten-1-yl]amino}benzoate [ACD/IUPAC Name]
1-[(5-Methyl-1,2-oxazol-3-yl)amino]-1-oxo-2-propanyl-2-{[(1E)-4,4,4-trifluor-3-oxo-1-buten-1-yl]amino}benzoat [German] [ACD/IUPAC Name]
2-{[(1E)-4,4,4-Trifluoro-3-oxo-1-butén-1-yl]amino}benzoate de 1-[(5-méthyl-1,2-oxazol-3-yl)amino]-1-oxo-2-propanyle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[(1E)-4,4,4-trifluoro-3-oxo-1-buten-1-yl]amino]-, 1-methyl-2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl ester [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 568.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 297.5±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 95.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 197.03
ACD/KOC (pH 5.5): 1527.69
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 197.00
ACD/KOC (pH 7.4): 1527.48
Polar Surface Area: 111 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 49.2±3.0 dyne/cm
Molar Volume: 290.1±3.0 cm3

Click to predict properties on the Chemicalize site


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