3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea

3-cyclopropyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea bmse011501 - Data

NMR Quality Control Of Fragment Libraries For Screening synonyms

Wikipedia:

Graphical representations:

NMR

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Molecular Formula: C10H15N3O2

Natural Isotopic Abundance Mass: 209.24499999999986

Mono-Isotopic Molecular Masses:

  • C12N14: 209.116426735
  • C13N14: 219.14997511500005
  • C12N15: 212.10753141400002
  • C13N15: 222.14107979400006

InChI string: InChI=1S/C10H15N3O2/c1-7-5-9(12-15-7)6-13(2)10(14)11-8-3-4-8/h5,8H,3-4,6H2,1-2H3,(H,11,14)

wwPDB CCD: U0P

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)