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Search term: XJTBBHDJJSYPPX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-(3-Chlorophenyl)-N-{3-[(4-fluorobenzyl)amino]-3-oxopropyl}-N-(tetrahydro-2-furanylmethyl)-1,2-oxazole-3-carboxamide | C25H25ClFN3O4

5-(3-Chlorophenyl)-N-{3-[(4-fluorobenzyl)amino]-3-oxopropyl}-N-(tetrahydro-2-furanylmethyl)-1,2-oxazole-3-carboxamide

  • Molecular FormulaC25H25ClFN3O4
  • Average mass485.935 Da
  • Monoisotopic mass485.151764 Da
  • ChemSpider ID22640007

More details:

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

3-Isoxazolecarboxamide, 5-(3-chlorophenyl)-N-[3-[[(4-fluorophenyl)methyl]amino]-3-oxopropyl]-N-[(tetrahydro-2-furanyl)methyl]- [ACD/Index Name]
5-(3-Chlorophenyl)-N-{3-[(4-fluorobenzyl)amino]-3-oxopropyl}-N-(tetrahydro-2-furanylmethyl)-1,2-oxazole-3-carboxamide [ACD/IUPAC Name]
5-(3-Chlorophényl)-N-{3-[(4-fluorobenzyl)amino]-3-oxopropyl}-N-(tétrahydro-2-furanylméthyl)-1,2-oxazole-3-carboxamide [French] [ACD/IUPAC Name]
5-(3-Chlorphenyl)-N-{3-[(4-fluorbenzyl)amino]-3-oxopropyl}-N-(tetrahydro-2-furanylmethyl)-1,2-oxazol-3-carboxamid [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 761.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 414.5±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 124.6±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.11
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 293.08
ACD/KOC (pH 5.5): 2029.92
ACD/LogD (pH 7.4): 3.55
ACD/BCF (pH 7.4): 293.08
ACD/KOC (pH 7.4): 2029.92
Polar Surface Area: 85 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 51.9±3.0 dyne/cm
Molar Volume: 374.1±3.0 cm3

Click to predict properties on the Chemicalize site


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