5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one

C10H9BrFNO2 — CID 51000280

IUPAC5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1c1ccc(F)cc1
InChIInChI=1S/C10H9BrFNO2/c11-5-9-6-13(10(14)15-9)8-3-1-7(12)2-4-8/h1-4,9H,5-6H2
InChIKeyXJKABTHXZUEAHA-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.55
Rot. Bonds2

About 5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one

5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 51000280) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID51000280
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CBr)CN1c1ccc(F)cc1
InChIInChI=1S/C10H9BrFNO2/c11-5-9-6-13(10(14)15-9)8-3-1-7(12)2-4-8/h1-4,9H,5-6H2
InChIKeyXJKABTHXZUEAHA-UHFFFAOYSA-N
XLogP2.55
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-(bromomethyl)-3-(4-methylphenyl)-1,3-oxazolidin-2-one
CID 95564147
5-(aminomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 71779050
5-(2-aminoethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 82391857
5-(3-aminopropyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one
CID 115060000
5-(bromomethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 104673307
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 14368941
4-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920743
5-[(dimethylsulfamoylamino)methyl]-3-(4-fluorophenyl)-2-oxo-1,3-oxazolidine
CID 16922442
5-(fluoromethyl)-3-phenyl-1,3-oxazolidin-2-one
CID 555364
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742

Frequently Asked Questions

What is the IUPAC name of 5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 51000280) is 5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is O=C1OC(CBr)CN1c1ccc(F)cc1.
What is the InChIKey of 5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is XJKABTHXZUEAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c11-5-9-6-13(10(14)15-9)8-3-1-7(12)2-4-8/h1-4,9H,5-6H2.
What are the key properties of 5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one?
5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 274.09 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(bromomethyl)-3-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 51000280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).