4-[3-(N-Nitrocarbamimidamido)Propyl]-2-Phenyl-1,3-Oxazol-5-Yl Pivalate

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Properties Simple | Detailed

Formula C18H23N5O5
IUPAC Name [4-[3-[carbamimidoyl(nitro)amino]propyl]-2-phenyl-oxazol-5-yl] 2,2-dimethylpropanoate
Molecular Mass 389.406 g·mol−1
Heat of Formation -262.2 ± 16.7 kJ·mol−1
Dipole Moment 4.70 ± 1.08 D
Volume 461.45 Å 3
Surface Area 379.15 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [4-[3-(carbamimidoyl-nitroamino)propyl]-2-phenyl-5-oxazolyl] ester
  • 2,2-dimethylpropionic acid [4-[3-(amidino-nitro-amino)propyl]-2-phenyl-oxazol-5-yl] ester
  • [4-[3-(carbamimidoyl-nitro-amino)propyl]-2-phenyl-1,3-oxazol-5-yl] 2,2-dimethylpropanoate
  • [4-[3-(carbamimidoyl-nitro-amino)propyl]-2-phenyl-oxazol-5-yl] 2,2-dimethylpropanoate
  • [4-[3-(carbamimidoyl-nitroamino)propyl]-2-phenyl-1,3-oxazol-5-yl] 2,2-dimethylpropanoate
InChIKey NOOXXXMMPRSRLE-UHFFFAOYSA-N
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