ChemSpider 2D Image | 3-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine | C20H16ClN5O3

3-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine

  • Molecular FormulaC20H16ClN5O3
  • Average mass409.826 Da
  • Monoisotopic mass409.094177 Da
  • ChemSpider ID35297157

More details:

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

3-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-6-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine [ACD/IUPAC Name]
3-[3-(4-Chlorophényl)-1,2,4-oxadiazol-5-yl]-6-(3-méthoxyphényl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazine [French] [ACD/IUPAC Name]
3-[3-(4-Chlorphenyl)-1,2,4-oxadiazol-5-yl]-6-(3-methoxyphenyl)-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin [German] [ACD/IUPAC Name]
4H-[1,2,3]Triazolo[5,1-c][1,4]oxazine, 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-6-(3-methoxyphenyl)- [ACD/Index Name]
1775565-14-4 [RN]
3-{3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-6,7-dihydro-4H-[1,2,3]triazolo[5,1-c][1,4]oxazin-6-yl}phenyl methyl ether
MFCD29000563

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

Density: 1.5±0.1 g/cm3
Boiling Point: 649.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.8±3.0 kJ/mol
Flash Point: 346.8±34.3 °C
Index of Refraction: 1.723
Molar Refractivity: 106.7±0.5 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 234.00
ACD/KOC (pH 5.5): 1727.78
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 234.00
ACD/KOC (pH 7.4): 1727.78
Polar Surface Area: 88 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 58.4±7.0 dyne/cm
Molar Volume: 269.4±7.0 cm3

Click to predict properties on the Chemicalize site


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