ChemSpider 2D Image | 1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine | C13H16N4O

1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine

  • Molecular FormulaC13H16N4O
  • Average mass244.292 Da
  • Monoisotopic mass244.132416 Da
  • ChemSpider ID21436631

More details:

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

1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin [German] [ACD/IUPAC Name]
1-[(3-Phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine [ACD/IUPAC Name]
1-[(3-Phényl-1,2,4-oxadiazol-5-yl)méthyl]pipérazine [French] [ACD/IUPAC Name]
1019108-02-1 [RN]
Piperazine, 1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]- [ACD/Index Name]
1-(3-Phenyl-[1,2,4]oxadiazol-5-ylmethyl)-piperazine
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazine hydrochloride
3-phenyl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4513563/
MFCD11053235 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 410.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.3±3.0 kJ/mol
Flash Point: 202.3±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.36
ACD/LogD (pH 5.5): -1.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.42
Polar Surface Area: 54 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 49.5±3.0 dyne/cm
Molar Volume: 206.4±3.0 cm3

Click to predict properties on the Chemicalize site


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