N-({(5S)-3-[3-Fluoro-4-(2-Methyl-2,6-Dihydropyrrolo[3,4-C]Pyrazol-5(4H)-Yl)Phenyl]-2-Oxo-1,3-Oxazolidin-5-Yl}Methyl)Acetamide

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Properties Simple | Detailed

Formula C18H20FN5O3
IUPAC Name n-[[(5s)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-2-ium-1-id-5-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
Molecular Mass 373.382 g·mol−1
Heat of Formation -326.2 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 418.62 Å 3
Surface Area 383.11 Å 2
HOMO Energy -7.71 ± 0.55 eV
LUMO Energy 0.03 ± eV
Point Group Symmetry C1
Synonyms
  • n-[[(5s)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-keto-oxazolidin-5-yl]methyl]acetamide
  • n-[[(5s)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
  • n-[[(5s)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanamide
  • n-[[(5s)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-5-oxazolidinyl]methyl]acetamide
  • n-[[(5s)-3-[3-fluoro-4-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
InChIKey UCBHICFFJKDMMR-AWEZNQCLSA-N
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