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Search term: JTGBRBZICRXKCW (Found by InChIKey (skeleton match))

ChemSpider 2D Image | 5-Ethyl-N-{2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl}-1,3,4-oxadiazol-2-amine | C14H21N7O

5-Ethyl-N-{2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl}-1,3,4-oxadiazol-2-amine

  • Molecular FormulaC14H21N7O
  • Average mass303.363 Da
  • Monoisotopic mass303.180756 Da
  • ChemSpider ID29478801

More details:






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

1-Piperazineethanamine, N-(5-ethyl-1,3,4-oxadiazol-2-yl)-4-(2-pyrimidinyl)- [ACD/Index Name]
5-Ethyl-N-{2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl}-1,3,4-oxadiazol-2-amin [German] [ACD/IUPAC Name]
5-Ethyl-N-{2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl}-1,3,4-oxadiazol-2-amine [ACD/IUPAC Name]
5-Éthyl-N-{2-[4-(2-pyrimidinyl)-1-pipérazinyl]éthyl}-1,3,4-oxadiazol-2-amine [French] [ACD/IUPAC Name]
5-ethyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-amine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 507.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 260.5±32.9 °C
Index of Refraction: 1.598
Molar Refractivity: 82.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 0.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 8.26
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.75
ACD/KOC (pH 7.4): 86.52
Polar Surface Area: 83 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 63.5±3.0 dyne/cm
Molar Volume: 242.7±3.0 cm3

Click to predict properties on the Chemicalize site






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