ChemSpider 2D Image | 3-{1-[(2,5-Difluorophenyl)sulfonyl]-2-pyrrolidinyl}-5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazole | C16H19F2N3O5S

3-{1-[(2,5-Difluorophenyl)sulfonyl]-2-pyrrolidinyl}-5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazole

  • Molecular FormulaC16H19F2N3O5S
  • Average mass403.401 Da
  • Monoisotopic mass403.101349 Da
  • ChemSpider ID65154200

More details:

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

1,2,4-Oxadiazole, 3-[1-[(2,5-difluorophenyl)sulfonyl]-2-pyrrolidinyl]-5-[(2-methoxyethoxy)methyl]- [ACD/Index Name]
3-{1-[(2,5-Difluorophenyl)sulfonyl]-2-pyrrolidinyl}-5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazole [ACD/IUPAC Name]
3-{1-[(2,5-Difluorophényl)sulfonyl]-2-pyrrolidinyl}-5-[(2-méthoxyéthoxy)méthyl]-1,2,4-oxadiazole [French] [ACD/IUPAC Name]
3-{1-[(2,5-Difluorphenyl)sulfonyl]-2-pyrrolidinyl}-5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol [German] [ACD/IUPAC Name]
2,5-difluorophenyl (2-{5-[(2-methoxyethoxy)methyl]-1,2,4-oxadiazol-3-yl}-1-pyrrolidinyl) sulfone

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

Density: 1.4±0.1 g/cm3
Boiling Point: 537.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 279.0±32.9 °C
Index of Refraction: 1.545
Molar Refractivity: 90.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 1.18
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.88
ACD/KOC (pH 5.5): 192.13
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.88
ACD/KOC (pH 7.4): 192.13
Polar Surface Area: 103 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 52.1±3.0 dyne/cm
Molar Volume: 287.4±3.0 cm3

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