ChemSpider 2D Image | (2S)-2-Amino-3-methyl-1-{4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-butanone | C16H22N4O2S

(2S)-2-Amino-3-methyl-1-{4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-butanone

  • Molecular FormulaC16H22N4O2S
  • Average mass334.436 Da
  • Monoisotopic mass334.146332 Da
  • ChemSpider ID26325640

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-Amino-3-methyl-1-{4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-butanon [German] [ACD/IUPAC Name]
(2S)-2-Amino-3-methyl-1-{4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl}-1-butanone [ACD/IUPAC Name]
(2S)-2-Amino-3-méthyl-1-{4-[3-(2-thiényl)-1,2,4-oxadiazol-5-yl]-1-pipéridinyl}-1-butanone [French] [ACD/IUPAC Name]
(2s)-2-Amino-3-Methyl-1-{4-[3-(Thiophen-2-Yl)-1,2,4-Oxadiazol-5-Yl]piperidin-1-Yl}butan-1-One
1-Butanone, 2-amino-3-methyl-1-[4-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]-1-piperidinyl]-, (2S)- [ACD/Index Name]
LL5

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

Density: 1.2±0.1 g/cm3
Boiling Point: 531.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 275.1±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 89.1±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -1.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.76
Polar Surface Area: 113 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 53.7±3.0 dyne/cm
Molar Volume: 270.9±3.0 cm3

Click to predict properties on the Chemicalize site


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