Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB


NMR Quality Control Of Fragment Libraries For Screening synonyms


Graphical representations:


View large 3D structure

Molecular Formula: C13H15N3O

Natural Isotopic Abundance Mass: 229.27769999999984

Mono-Isotopic Molecular Masses:

  • C12N14: 229.121512115
  • C13N14: 242.16512500900006
  • C12N15: 232.11261679400002
  • C13N15: 245.15622968800008

InChI string: InChI=1S/C13H15N3O/c1-2-4-11(5-3-1)13-15-12(16-17-13)10-6-8-14-9-7-10/h6-9,11H,1-5H2

IUPAC: 4-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)pyridine

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,