ChemSpider 2D Image | tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate | C16H21N3O3S

tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate

  • Molecular FormulaC16H21N3O3S
  • Average mass335.421 Da
  • Monoisotopic mass335.130371 Da
  • ChemSpider ID13704102

More details:

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

1-Piperidinecarboxylic acid, 4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[3-(2-Thiényl)-1,2,4-oxadiazol-5-yl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
RF1
tert-butyl 4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 472.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.5±31.5 °C
Index of Refraction: 1.553
Molar Refractivity: 87.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 218.07
ACD/KOC (pH 5.5): 1642.75
ACD/LogD (pH 7.4): 3.38
ACD/BCF (pH 7.4): 218.07
ACD/KOC (pH 7.4): 1642.75
Polar Surface Area: 97 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 272.9±3.0 cm3

Click to predict properties on the Chemicalize site


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