(5Z)-N-Ethyl-5-(4-Hydroxy-3-Isopropyl-6-Oxo-2,4-Cyclohexadien-1-Ylidene)-4-[4-(4-Morpholinylmethyl)Phenyl]-2,5-Dihydro-1,2-Oxazole-3-Carboxamide

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Properties Simple | Detailed

Formula C26H31N3O5
IUPAC Name (5z)-n-ethyl-5-(4-hydroxy-3-isopropyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)-4-[4-(morpholinomethyl)phenyl]isoxazole-3-carboxamide
Molecular Mass 465.541 g·mol−1
Heat of Formation -462.1 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 583.04 Å 3
Surface Area 443.33 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • (5z)-n-ethyl-5-(4-hydroxy-3-isopropyl-6-keto-1-cyclohexa-2,4-dienylidene)-4-[4-(morpholinomethyl)phenyl]-2h-isoxazole-3-carboxamide
  • (5z)-n-ethyl-5-(4-hydroxy-3-isopropyl-6-oxo-1-cyclohexa-2,4-dienylidene)-4-[4-(morpholinomethyl)phenyl]-2h-isoxazole-3-carboxamide
  • (5z)-n-ethyl-5-(4-hydroxy-6-oxo-3-propan-2-yl-1-cyclohexa-2,4-dienylidene)-4-[4-(morpholin-4-ylmethyl)phenyl]-2h-1,2-oxazole-3-carboxamide
InChIKey SWDZPNJZKUGIIH-QQTULTPQSA-N
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