ChemSpider 2D Image | Ethyl 5-{[N-(3,4,5-trimethoxybenzoyl)glycyl]amino}-1,2-oxazole-4-carboxylate | C18H21N3O8

Ethyl 5-{[N-(3,4,5-trimethoxybenzoyl)glycyl]amino}-1,2-oxazole-4-carboxylate

  • Molecular FormulaC18H21N3O8
  • Average mass407.375 Da
  • Monoisotopic mass407.132874 Da
  • ChemSpider ID126030496

More details:

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

4-Isoxazolecarboxylic acid, 5-[[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]amino]-, ethyl ester [ACD/Index Name]
5-{[N-(3,4,5-Triméthoxybenzoyl)glycyl]amino}-1,2-oxazole-4-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 5-{[N-(3,4,5-trimethoxybenzoyl)glycyl]amino}-1,2-oxazole-4-carboxylate [ACD/IUPAC Name]
Ethyl-5-{[N-(3,4,5-trimethoxybenzoyl)glycyl]amino}-1,2-oxazol-4-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 608.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.4±3.0 kJ/mol
Flash Point: 321.7±31.5 °C
Index of Refraction: 1.563
Molar Refractivity: 100.6±0.3 cm3
#H bond acceptors: 11
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 0.79
ACD/BCF (pH 5.5): 2.36
ACD/KOC (pH 5.5): 64.28
ACD/LogD (pH 7.4): 0.79
ACD/BCF (pH 7.4): 2.36
ACD/KOC (pH 7.4): 64.26
Polar Surface Area: 138 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 49.7±3.0 dyne/cm
Molar Volume: 309.7±3.0 cm3

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