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

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Properties Simple | Detailed

Formula C22H21ClN2O6
IUPAC Name 2-[[3-[[2-(4-chlorophenyl)-5-methyl-oxazol-3-ium-5-id-4-yl]methoxy]phenyl]methyl-methoxycarbonyl-amino]acetic acid
Molecular Mass 444.865 g·mol−1
Heat of Formation -774.3 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 503.96 Å 3
Surface Area 446.62 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonyl-amino]ethanoic acid
  • 2-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid
  • 2-[[3-[[2-(4-chlorophenyl)-5-methyl-4-oxazolyl]methoxy]phenyl]methyl-methoxycarbonylamino]acetic acid
  • 2-[carbomethoxy-[3-[[2-(4-chlorophenyl)-5-methyl-oxazol-4-yl]methoxy]benzyl]amino]acetic acid
InChIKey UJIBXDMNCMEJAY-UHFFFAOYSA-N
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