4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one

C9H6BrF2NO2 — CID 130146009

IUPAC4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2c(F)cc(Br)cc2F)CO1
InChIInChI=1S/C9H6BrF2NO2/c10-4-1-5(11)8(6(12)2-4)7-3-15-9(14)13-7/h1-2,7H,3H2,(H,13,14)
InChIKeyMZAWHVPSRSRELO-UHFFFAOYSA-N
MW278.05 g/mol
LogP2.51
Rot. Bonds1

About 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one

4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 130146009) has the molecular formula C9H6BrF2NO2 and a molecular weight of 278.05 g/mol. Its IUPAC name is 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one
PubChem CID130146009
Molecular FormulaC9H6BrF2NO2
Molecular Weight278.05 g/mol
Exact Mass276.95
IUPAC Name4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2c(F)cc(Br)cc2F)CO1
InChIInChI=1S/C9H6BrF2NO2/c10-4-1-5(11)8(6(12)2-4)7-3-15-9(14)13-7/h1-2,7H,3H2,(H,13,14)
InChIKeyMZAWHVPSRSRELO-UHFFFAOYSA-N
XLogP2.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.05
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 171183886
(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184446
4-(6-bromo-3-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 130146187
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
(4R)-4-(4-bromo-2,6-difluorophenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171186768
(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
(4S)-4-(3-fluoro-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183858
(4S)-4-(4-chloro-3-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184050
4-(3,5-difluorophenyl)-1,3-oxazolidin-2-one;ethane;methanol
CID 143702720
(4S)-4-(4-chloro-2,6-difluorophenyl)-1,3-oxazinan-2-one
CID 171185912
(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 130067450
(4S)-4-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184055

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one (CID 130146009) is 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one is O=C1NC(c2c(F)cc(Br)cc2F)CO1.
What is the InChIKey of 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is MZAWHVPSRSRELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF2NO2/c10-4-1-5(11)8(6(12)2-4)7-3-15-9(14)13-7/h1-2,7H,3H2,(H,13,14).
What are the key properties of 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one?
4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 278.05 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130146009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).