Home
MCP
Workbench
Skills
More
English
English
Home
Workbench
Notifications
Me
Home
/
Compound
3-(4-Bromo-2-pyridinyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
HCID
22996071
Save
Notes
Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
Substructure search
Find similar structures
Basic information
Standard SMILES
O=C1OC(COc2ccon2)CN1c1cc(Br)ccn1
InChIKey
WVKBZTLZHCSOFG-UHFFFAOYSA-N
Molecular formula
C12H10BrN3O4
Average molar mass
340.13 g/mol
Monoisotopic mass
338.98547
Names & identifiers
Preferred name
3-(4-Bromo-2-pyridinyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
IUPAC
3-(4-bromo-2-pyridinyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
Database identifiers
PubChem CID
22996071
Properties
Computed structural properties
XLogP
1.9
Topological polar surface area
77.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
20
Formal charge
0
Complexity
360
Show all 8
Show all 8 / 8
Related reactions
1 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
144967
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
Loading…
3-(4-Bromo-2-pyridinyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (HCID 22996071)|Huagongshe