2-({2,2-Dimethyl-3-[(3E)-3-(5-Oxo-2(5H)-Pyridinylidene)-2,3-Dihydro-1,2,4-Oxadiazol-5-Yl]Propanoyl}Amino)-1-Cyclohexene-1-Carboxylic Acid

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Properties Simple | Detailed

Formula C19H22N4O5
IUPAC Name 2-[[2,2-dimethyl-3-[(3e)-3-(5-oxopyridin-2-ylidene)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid
Molecular Mass 386.402 g·mol−1
Heat of Formation -501.4 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 452.41 Å 3
Surface Area 377.38 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.90 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[2,2-dimethyl-1-oxo-3-[(3e)-3-(5-oxo-2-pyridylidene)-1,2,4-oxadiazol-5-yl]propyl]amino]-1-cyclohexenecarboxylic acid
  • 2-[[2,2-dimethyl-3-[(3e)-3-(5-oxo-2-pyridylidene)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid
  • 2-[[3-[(3e)-3-(5-keto-2-pyridylidene)-1,2,4-oxadiazol-5-yl]-2,2-dimethyl-propanoyl]amino]cyclohexene-1-carboxylic acid
InChIKey PHGMXUSKLSOOBC-JQIJEIRASA-N
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