4-(3-{(E)-[Amino(Nitroamino)Methylene]Amino}Propyl)-2-Phenyl-1,3-Oxazol-5-Yl Pivalate

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Properties Simple | Detailed

Formula C18H23N5O5
IUPAC Name [4-[3-[(e)-[amino(nitramido)methylene]amino]propyl]-2-phenyl-oxazol-5-yl] 2,2-dimethylpropanoate
Molecular Mass 389.406 g·mol−1
Heat of Formation -306.9 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 454.08 Å 3
Surface Area 369.34 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethylpropanoic acid [4-[3-[(amino-nitramidomethylene)amino]propyl]-2-phenyl-5-oxazolyl] ester
  • 2,2-dimethylpropionic acid [4-[3-[(amino-nitramido-methylene)amino]propyl]-2-phenyl-oxazol-5-yl] ester
  • 2-phenyl-4-(3-(n-nitroguanidino)propyl)-5-pivaloyloxyoxazole
  • [4-[3-[(amino-nitramido-methylene)amino]propyl]-2-phenyl-oxazol-5-yl] 2,2-dimethylpropanoate
  • [4-[3-[(amino-nitramido-methylidene)amino]propyl]-2-phenyl-1,3-oxazol-5-yl] 2,2-dimethylpropanoate
  • [4-[3-[(amino-nitramidomethylidene)amino]propyl]-2-phenyl-1,3-oxazol-5-yl] 2,2-dimethylpropanoate
  • pnppo
  • propanoic acid, 2,2-dimethyl-, 4-(3-((imino(nitroamino)methyl)amino)propyl)-2-phenyl-5-oxazolyl ester
CAS Number(s)
  • 71162-59-9
InChIKey XQJQVNRNTPXDMP-UHFFFAOYSA-N
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