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

C10H11BrFNO5S — CID 158400380

IUPAC3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
SMILESCS(=O)(=O)O.O=C1OCCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C9H7BrFNO2.CH4O3S/c10-7-2-1-6(5-8(7)11)12-3-4-14-9(12)13;1-5(2,3)4/h1-2,5H,3-4H2;1H3,(H,2,3,4)
InChIKeyGYAMFBJKUNRSQO-UHFFFAOYSA-N
MW356.17 g/mol
LogP2.05
Rot. Bonds1

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

3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid (PubChem CID 158400380) has the molecular formula C10H11BrFNO5S and a molecular weight of 356.17 g/mol. Its IUPAC name is 3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid.

Molecular Properties

Compound Name3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
PubChem CID158400380
Molecular FormulaC10H11BrFNO5S
Molecular Weight356.17 g/mol
Exact Mass354.95
IUPAC Name3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
SMILESCS(=O)(=O)O.O=C1OCCN1c1ccc(Br)c(F)c1
InChIInChI=1S/C9H7BrFNO2.CH4O3S/c10-7-2-1-6(5-8(7)11)12-3-4-14-9(12)13;1-5(2,3)4/h1-2,5H,3-4H2;1H3,(H,2,3,4)
InChIKeyGYAMFBJKUNRSQO-UHFFFAOYSA-N
XLogP2.05
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.17
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851
3-(4-bromo-3-chlorophenyl)-1,3-oxazolidin-2-one
CID 107612952
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
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
CID 141011533
3-[3-fluoro-4-(3-methyl-4-oxopiperidin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 140974557
3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-N',N'-dimethylbenzohydrazide
CID 142694832
3-bromo-1-(4-bromo-3-fluorophenyl)pyrrolidin-2-one
CID 65437036
ethane;3-[3-fluoro-4-(2-phenylethyl)phenyl]-1,3-oxazolidin-2-one
CID 142959710
3-(4-amino-3-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 89289415

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid?
The IUPAC name of 3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid (CID 158400380) is 3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid.
What is the SMILES notation for 3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid?
The canonical SMILES for 3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid is CS(=O)(=O)O.O=C1OCCN1c1ccc(Br)c(F)c1.
What is the InChIKey of 3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid?
The InChIKey is GYAMFBJKUNRSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrFNO2.CH4O3S/c10-7-2-1-6(5-8(7)11)12-3-4-14-9(12)13;1-5(2,3)4/h1-2,5H,3-4H2;1H3,(H,2,3,4).
What are the key properties of 3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid?
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid has a molecular weight of 356.17 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid is sourced from PubChem (CID 158400380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).