BMRB

Biological Magnetic Resonance Data Bank


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

1,3-oxazol-4-ylmethanamine

1,3-oxazol-4-ylmethanamine bmse012630 - Data

1,3-oxazol-4-ylmethanamine synonyms

Wikipedia:

Graphical representations:

1,3-oxazol-4-ylmethanamine

View large 3D structure

Molecular Formula: C4H6N2O

Natural Isotopic Abundance Mass: 98.10323999999999

Mono-Isotopic Molecular Masses:

  • C12N14: 98.048012822
  • C13N14: 102.061432174
  • C12N15: 100.04208260800002
  • C13N15: 104.05550196000002

InChI string: InChI=1S/C4H6N2O/c5-1-4-2-7-3-6-4/h2-3H,1,5H2

IUPAC: b'1,3-oxazol-4-ylmethanamine'

EU-OPENSCREEN: EOS103460

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)