Allyl {(2R)-1-{5-[4-(2,3-Dihydro-1H-Inden-2-Ylcarbamoyl)Benzyl]-1,2,4-Oxadiazol-3-Yl}-1-Oxo-4-[(3R)-3-Pyrrolidinyl]-2-Butanyl}Carbamate

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Properties Simple | Detailed

Formula C31H35N5O5
IUPAC Name allyl n-[(1r)-1-[5-[[4-(indan-2-ylcarbamoyl)phenyl]methyl]-1,2,4-oxadiazole-3-carbonyl]-3-[(3r)-pyrrolidin-3-yl]propyl]carbamate
Molecular Mass 557.640 g·mol−1
Heat of Formation -360.8 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 676.34 Å 3
Surface Area 594.28 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
Synonyms
  • allyl n-[(1r)-1-[5-[[4-(indan-2-ylcarbamoyl)phenyl]methyl]1,2,4-oxadiazole-3-carbonyl]-3-[(3r)-pyrrolidin-3-yl]propyl]carbamate
  • allyl {(1s)-1-[(5-{4-[(2,3-dihydro-1h-inden-2-ylamino)carbonyl]benzyl}-1,2,4-oxadiazol-3-yl)carbonyl]-3-pyrrolidin-3-ylpropyl}carbamate
  • n-[(1r)-1-[5-[4-(indan-2-ylcarbamoyl)benzyl]1,2,4-oxadiazole-3-carbonyl]-3-[(3r)-pyrrolidin-3-yl]propyl]carbamic acid allyl ester
  • n-[(1r)-1-[[5-[[4-[(2-indanylamino)-oxomethyl]phenyl]methyl]-1,2,4-oxadiazol-3-yl]-oxomethyl]-3-[(3r)-3-pyrrolidinyl]propyl]carbamic acid allyl ester
  • prop-2-enyl n-[(2r)-1-[5-[[4-(2,3-dihydro-1h-inden-2-ylcarbamoyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]-1-oxo-4-[(3r)-pyrrolidin-3-yl]butan-2-yl]carbamate
InChIKey YCRRSNQAJBEKFO-QFQXNSOFSA-N
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