ChemSpider 2D Image | 3-(3-Chloro-1,2-oxazol-5-yl)-1-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-propanone | C16H21ClN4O4

3-(3-Chloro-1,2-oxazol-5-yl)-1-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-propanone

  • Molecular FormulaC16H21ClN4O4
  • Average mass368.815 Da
  • Monoisotopic mass368.125122 Da
  • ChemSpider ID29455968

More details:

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

1-Propanone, 3-(3-chloro-5-isoxazolyl)-1-[3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]- [ACD/Index Name]
3-(3-Chlor-1,2-oxazol-5-yl)-1-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-propanon [German] [ACD/IUPAC Name]
3-(3-Chloro-1,2-oxazol-5-yl)-1-{3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-propanone [ACD/IUPAC Name]
3-(3-Chloro-1,2-oxazol-5-yl)-1-{3-[3-(2-méthoxyéthyl)-1,2,4-oxadiazol-5-yl]-1-pipéridinyl}-1-propanone [French] [ACD/IUPAC Name]
1-[3-(3-chloro-5-isoxazolyl)propanoyl]-3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine

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

Density: 1.3±0.1 g/cm3
Boiling Point: 585.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 307.9±32.9 °C
Index of Refraction: 1.542
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 0.51
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.54
ACD/KOC (pH 5.5): 102.83
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.54
ACD/KOC (pH 7.4): 102.83
Polar Surface Area: 94 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 55.0±3.0 dyne/cm
Molar Volume: 283.1±3.0 cm3

Click to predict properties on the Chemicalize site


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