N-{[3-(2-Chlorophenyl)-5-Methyl-1,2-Oxazol-4-Yl]Carbonyl}Glycine

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Properties Simple | Detailed

Formula C13H11ClN2O4
IUPAC Name 2-[[3-(2-chlorophenyl)-5-methyl-isoxazole-4-carbonyl]amino]acetic acid
Molecular Mass 294.690 g·mol−1
Heat of Formation -468.4 ± 16.7 kJ·mol−1
Dipole Moment 2.93 ± 1.08 D
Volume 309.95 Å 3
Surface Area 268.43 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.69 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonylamino]ethanoic acid
  • 2-[[3-(2-chlorophenyl)-5-methyl1,2-oxazole-4-carbonyl]amino]acetic acid
  • 2-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-oxomethyl]amino]acetic acid
  • ms-0316
  • n-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl}glycine
  • oprea1_335159
InChIKey NDCUMIWQWHIBAL-UHFFFAOYSA-N
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