ChemSpider 2D Image | Methyl 5-({8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}methyl)-2-furoate | C22H17N5O5

Methyl 5-({8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}methyl)-2-furoate

  • Molecular FormulaC22H17N5O5
  • Average mass431.401 Da
  • Monoisotopic mass431.122955 Da
  • ChemSpider ID26315462

More details:

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

2-Furancarboxylic acid, 5-[[8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-1,2,4-triazolo[4,3-a]pyridin-2(3H)-yl]methyl]-, methyl ester [ACD/Index Name]
5-({8-[3-(4-Méthylphényl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}méthyl)-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-({8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}methyl)-2-furoate [ACD/IUPAC Name]
Methyl-5-({8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl}methyl)-2-furoat [German] [ACD/IUPAC Name]
1251572-80-1 [RN]
methyl 5-((3-oxo-8-(3-(p-tolyl)-1,2,4-oxadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl)methyl)furan-2-carboxylate
methyl 5-({8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-2-yl}methyl)furan-2-carboxylate
methyl 5-{[8-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]methyl}-2-furoate
MFCD22592246

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

Density: 1.5±0.1 g/cm3
Boiling Point: 631.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 93.4±3.0 kJ/mol
Flash Point: 335.9±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 113.8±0.5 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 1.66
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 36.10
ACD/KOC (pH 5.5): 453.37
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 36.10
ACD/KOC (pH 7.4): 453.37
Polar Surface Area: 114 Å2
Polarizability: 45.1±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 291.9±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement