3-cyclopropyl-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole

3-cyclopropyl-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole bmse011721 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C9H13N3O

Natural Isotopic Abundance Mass: 179.2190199999999

Mono-Isotopic Molecular Masses:

  • C12N14: 179.105862051
  • C13N14: 188.13605559300004
  • C12N15: 182.09696673000002
  • C13N15: 191.12716027200005

InChI string: InChI=1S/C9H13N3O/c1-2-6(1)8-11-9(13-12-8)7-3-4-10-5-7/h6-7,10H,1-5H2/t7-/m0/s1

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

InChI string and atom numbering calculated using ALATIS (Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773)