ChemSpider 2D Image | 5-[(3S,4S)-1-(5-Chloro-2-fluorobenzyl)-4-(methoxymethyl)-3-pyrrolidinyl]-3-methyl-1,2,4-oxadiazole | C16H19ClFN3O2

5-[(3S,4S)-1-(5-Chloro-2-fluorobenzyl)-4-(methoxymethyl)-3-pyrrolidinyl]-3-methyl-1,2,4-oxadiazole

  • Molecular FormulaC16H19ClFN3O2
  • Average mass339.792 Da
  • Monoisotopic mass339.114990 Da
  • ChemSpider ID53598565
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,2,4-Oxadiazole, 5-[(3S,4S)-1-[(5-chloro-2-fluorophenyl)methyl]-4-(methoxymethyl)-3-pyrrolidinyl]-3-methyl- [ACD/Index Name]
5-[(3S,4S)-1-(5-Chlor-2-fluorbenzyl)-4-(methoxymethyl)-3-pyrrolidinyl]-3-methyl-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
5-[(3S,4S)-1-(5-Chloro-2-fluorobenzyl)-4-(methoxymethyl)-3-pyrrolidinyl]-3-methyl-1,2,4-oxadiazole [ACD/IUPAC Name]
5-[(3S,4S)-1-(5-Chloro-2-fluorobenzyl)-4-(méthoxyméthyl)-3-pyrrolidinyl]-3-méthyl-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
[(3S,4S)-1-(5-chloro-2-fluorobenzyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)tetrahydro-1H-pyrrol-3-yl]methyl methyl ether

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

Density: 1.3±0.1 g/cm3
Boiling Point: 431.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.7±3.0 kJ/mol
Flash Point: 214.5±31.5 °C
Index of Refraction: 1.547
Molar Refractivity: 84.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.78
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 2.97
ACD/KOC (pH 5.5): 36.81
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 32.75
ACD/KOC (pH 7.4): 406.58
Polar Surface Area: 51 Å2
Polarizability: 33.7±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 267.9±3.0 cm3

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