BMRB

Biological Magnetic Resonance Data Bank


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

5-amino-2-methyl-1,3-oxazole-4-carbonitrile

5-amino-2-methyl-1,3-oxazole-4-carbonitrile bmse012180 - Data

5-amino-2-methyl-1,3-oxazole-4-carbonitrile synonyms

Wikipedia:

Graphical representations:

5-amino-2-methyl-1,3-oxazole-4-carbonitrile

View large 3D structure

Molecular Formula: C5H5N3O

Natural Isotopic Abundance Mass: 123.11269999999998

Mono-Isotopic Molecular Masses:

  • C12N14: 123.043261795
  • C13N14: 128.060035985
  • C12N15: 126.03436647400002
  • C13N15: 131.05114066400003

InChI string: InChI=1S/C5H5N3O/c1-3-8-4(2-6)5(7)9-3/h7H2,1H3

IUPAC: b'5-amino-2-methyl-1,3-oxazole-4-carbonitrile'

EU-OPENSCREEN: EOS102909

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)