bmse011610 NMR Quality Control Of Fragment Libraries For Screening at BMRB

1-(1,2-oxazol-3-ylmethyl)piperazine

1-(1,2-oxazol-3-ylmethyl)piperazine bmse011610 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Graphical representations:

View large 3D structure

Molecular Formula: C8H13N3O

Natural Isotopic Abundance Mass: 167.20831999999987

Mono-Isotopic Molecular Masses:

C12N14: 167.105862051
C13N14: 175.13270075500003
C12N15: 170.09696673000002
C13N15: 178.12380543400005

InChI string: InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2

IUPAC: 1-(1,2-oxazol-3-ylmethyl)piperazine

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)