3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one

C10H9BrFNO2 — CID 107592737

IUPAC3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cc(F)c(Br)cc1N1CCOC1=O
InChIInChI=1S/C10H9BrFNO2/c1-6-4-8(12)7(11)5-9(6)13-2-3-15-10(13)14/h4-5H,2-3H2,1H3
InChIKeyYKXYYUWDRDUJQF-UHFFFAOYSA-N
MW274.09 g/mol
LogP2.85
Rot. Bonds1

About 3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one

3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 107592737) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is 3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID107592737
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1cc(F)c(Br)cc1N1CCOC1=O
InChIInChI=1S/C10H9BrFNO2/c1-6-4-8(12)7(11)5-9(6)13-2-3-15-10(13)14/h4-5H,2-3H2,1H3
InChIKeyYKXYYUWDRDUJQF-UHFFFAOYSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(4-bromo-2-pyrrolidin-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 71657290
3-(2-Methylphenyl)-1,3-oxazolidin-2-one
CID 14120199
3-(3-Bromophenyl)oxazolidin-2-one
CID 68873771
3-[2-(Trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 18980588
3-(3-Fluoro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 20785448
3-(4-Bromo-3-fluorophenyl)-4-(methoxymethyl)-1,3-oxazolidin-2-one
CID 20785456
1-Acetyl-6-bromo-5-fluoroindoline
CID 21948372
3-(5-Fluoro-2-propan-2-ylphenyl)-1,3-oxazolidin-2-one
CID 57867694
3-(2-Fluoro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 58845380
3-(4-Fluoro-3-methylphenyl)-1,3-oxazolidin-2-one
CID 59576547
3-(2-Fluoro-5-methylphenyl)-1,3-oxazolidin-2-one
CID 59576584
ethyl 2-(5-bromo-N-(2-ethoxy-2-oxoethyl)-4-fluoro-2-methylanilino)acetate
CID 66880580

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one (CID 107592737) is 3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one is Cc1cc(F)c(Br)cc1N1CCOC1=O.
What is the InChIKey of 3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is YKXYYUWDRDUJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c1-6-4-8(12)7(11)5-9(6)13-2-3-15-10(13)14/h4-5H,2-3H2,1H3.
What are the key properties of 3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one?
3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 274.09 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-4-fluoro-2-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 107592737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).