N-[4-({5-[3-(2-Aminoethyl)-1H-Indol-5-Yl]-1,2,4-Oxadiazol-3-Yl}Methyl)Phenyl]Methanesulfonamide

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Formula C20H21N5O3S
IUPAC Name n-[4-[[5-[3-(2-aminoethyl)-1h-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
Molecular Mass 411.477 g·mol−1
Heat of Formation -2.4 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 471.47 Å 3
Surface Area 422.72 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(5-(3-(4-(methylsulfonylamino)benzyl)-1,2,4-oxadiazol-5-yl)-1h-indole-3-yl)ethylamine
  • l 694247
  • l-694247
  • l694247
  • methanesulfonamide, n-(4-((5-(3-(2-aminoethyl)-1h-indol-5-yl)-1,2,4-oxadiazol-3-yl)methyl)phenyl)-
  • n-[4-[[5-[3-(2-aminoethyl)-1h-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
  • tocris-0781
CAS Number(s)
  • 137403-12-4
InChIKey HKXMQLISPYELRD-UHFFFAOYSA-N
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