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CHEBI:42603 - 3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazol-2-one

ChEBI IDCHEBI:42603
ChEBI Name3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazol-2-one
Stars
DefinitionAn oxazoline derivative having an oxo group at the 2-position and an N-{[(5-nitro-2-furyl)methylene]amino} substituent.
Last Modified31 December 2016
DownloadsMolfile
FormulaC8H5N3O5
Net Charge0
Average Mass223.144
Monoisotopic Mass223.02292
SMILESO=c1occn1/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C8H5N3O5/c12-8-10(3-4-15-8)9-5-6-1-2-7(16-6)11(13)14/h1-5H/b9-5+
InChIKeyOEJYWOUVKXLNIN-WEVVVXLNSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazol-2-one (CHEBI:42603) has role epitope (CHEBI:53000)
3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazol-2-one (CHEBI:42603) is a C-nitro compound (CHEBI:35716)
3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazol-2-one (CHEBI:42603) is a furans (CHEBI:24129)
3-{[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazol-2-one (CHEBI:42603) is a oxazoline (CHEBI:38327)
IUPAC Name 
3-{(E)-[(5-nitrofuran-2-yl)methylidene]amino}-1,3-oxazol-2(3H)-one
Synonym  Source
3-{[(5-nitro-2-furyl)methylene]amino}-1,3-oxazol-2(3H)-oneChEBI
Manual XrefsDatabases
1OAYPDB
Registry NumbersSources
Beilstein:753373Beilstein