BMRB

Biological Magnetic Resonance Data Bank


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

2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine bmse012457 - Data

2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine synonyms

Wikipedia:

Graphical representations:

2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine

View large 3D structure

Molecular Formula: C5H9N3O

Natural Isotopic Abundance Mass: 127.14445999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 127.074561923
  • C13N14: 132.091336113
  • C12N15: 130.06566660200002
  • C13N15: 135.08244079200003

InChI string: InChI=1S/C5H9N3O/c1-4-7-5(2-3-6)9-8-4/h2-3,6H2,1H3

IUPAC: b'2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine'

EU-OPENSCREEN: EOS103217

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)