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Compound
3-(3-Fluoro-4-imidazol-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
HCID
21992948
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Basic information
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Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=C1OC(CO)CN1c1ccc(-n2ccnc2)c(F)c1
InChIKey
ALPUBWSOWJVBBL-UHFFFAOYSA-N
Molecular formula
C13H12FN3O3
Average molar mass
277.25 g/mol
Names & identifiers
Preferred name
3-(3-Fluoro-4-imidazol-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
IUPAC
3-(3-fluoro-4-imidazol-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
Names & synonyms
SCHEMBL5832684
Database identifiers
PubChem CID
21992948
Properties
Computed structural properties
XLogP
0.7
Topological polar surface area
67.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
371
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
85777
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
2330629
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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3-(3-Fluoro-4-imidazol-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (HCID 21992948)|Huagongshe