ChemSpider 2D Image | 1-(4-Iodophenyl)-3-{3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl}-1-propanone | C15H18IN3O2

1-(4-Iodophenyl)-3-{3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl}-1-propanone

  • Molecular FormulaC15H18IN3O2
  • Average mass399.227 Da
  • Monoisotopic mass399.044373 Da
  • ChemSpider ID63657587

More details:

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

1-(4-Iodophenyl)-3-{3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl}-1-propanone [ACD/IUPAC Name]
1-(4-Iodophényl)-3-{3-[2-(méthylamino)propyl]-1,2,4-oxadiazol-5-yl}-1-propanone [French] [ACD/IUPAC Name]
1-(4-Iodphenyl)-3-{3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl}-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-(4-iodophenyl)-3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 510.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 262.6±32.9 °C
Index of Refraction: 1.589
Molar Refractivity: 89.2±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.66
ACD/LogD (pH 5.5): -0.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 1.00
ACD/BCF (pH 7.4): 1.26
ACD/KOC (pH 7.4): 12.81
Polar Surface Area: 68 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 50.1±3.0 dyne/cm
Molar Volume: 264.5±3.0 cm3

Click to predict properties on the Chemicalize site


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