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N-(2-oxo-2,3-dihydro-benzoxazol-6-yl)-oxalamic acid

HCID 53306576
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIKey
LTEBEEWHIXFDHW-UHFFFAOYSA-N
Molecular formula
C9H6N2O5
Average molar mass
222.15 g/mol

Names & identifiers

Preferred name
N-(2-oxo-2,3-dihydro-benzoxazol-6-yl)-oxalamic acid
IUPAC
2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetic acid

Names & synonyms

496055-50-6SCHEMBL4576717LTEBEEWHIXFDHW-UHFFFAOYSA-NN-(2-oxo-2,3-dihydro-benzoxazol-6-yl)-oxalamic acid2-Oxo-2-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)amino)acetic acid2-Oxo-2-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)amino)aceticacid2-oxo-2-(2-oxo-2,3-dihydrobenzo[d]oxazol-6-ylamino)acetic acid

Database identifiers

PubChem CID
53306576

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
105 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
343

Related reactions

14 records
New reaction record
HRID 138753 reaction equation
HRID 138753As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 300094 reaction equation
HRID 300094As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 1117258 reaction equation
HRID 1117258As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1232851 reaction equation
HRID 1232851As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2115001 reaction equation
HRID 2115001As reactantuspto-grants-2008_10
HRID 2115002 reaction equation
HRID 2115002As reactantuspto-grants-2008_10
HRID 2115003 reaction equation
HRID 2115003As reactantuspto-grants-2008_10
HRID 2115005 reaction equation
HRID 2115005As reactantuspto-grants-2008_10
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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes