3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one

C9H7BrFNO2 — CID 104779667

IUPAC3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(F)c(Br)c1
InChIInChI=1S/C9H7BrFNO2/c10-7-5-6(1-2-8(7)11)12-3-4-14-9(12)13/h1-2,5H,3-4H2
InChIKeySWYMRVMJJPRIAZ-UHFFFAOYSA-N
MW260.06 g/mol
LogP2.54
Rot. Bonds1

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

3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 104779667) has the molecular formula C9H7BrFNO2 and a molecular weight of 260.06 g/mol. Its IUPAC name is 3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID104779667
Molecular FormulaC9H7BrFNO2
Molecular Weight260.06 g/mol
Exact Mass258.96
IUPAC Name3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1ccc(F)c(Br)c1
InChIInChI=1S/C9H7BrFNO2/c10-7-5-6(1-2-8(7)11)12-3-4-14-9(12)13/h1-2,5H,3-4H2
InChIKeySWYMRVMJJPRIAZ-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one
CID 107612952
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851
3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
1-(3-bromo-4-fluorophenyl)azepan-2-one
CID 104779696
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 142270175
2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile
CID 141213401
3-(3-chloro-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 58394005
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533
3-[4-(2-amino-1,3-oxazol-4-yl)-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 18980579
ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one
CID 142959710

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one (CID 104779667) is 3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one is O=C1OCCN1c1ccc(F)c(Br)c1.
What is the InChIKey of 3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is SWYMRVMJJPRIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO2/c10-7-5-6(1-2-8(7)11)12-3-4-14-9(12)13/h1-2,5H,3-4H2.
What are the key properties of 3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one?
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 260.06 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 104779667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).