3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C10H8BrF2NO3 — CID 76610876

IUPAC3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(Br)c(F)c1F
InChIInChI=1S/C10H8BrF2NO3/c11-6-1-2-7(9(13)8(6)12)14-3-5(4-15)17-10(14)16/h1-2,5,15H,3-4H2
InChIKeyNVJLJAGITXTQQB-UHFFFAOYSA-N
MW308.08 g/mol
LogP2.04
Rot. Bonds2

About 3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one

3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 76610876) has the molecular formula C10H8BrF2NO3 and a molecular weight of 308.08 g/mol. Its IUPAC name is 3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID76610876
Molecular FormulaC10H8BrF2NO3
Molecular Weight308.08 g/mol
Exact Mass306.97
IUPAC Name3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(CO)CN1c1ccc(Br)c(F)c1F
InChIInChI=1S/C10H8BrF2NO3/c11-6-1-2-7(9(13)8(6)12)14-3-5(4-15)17-10(14)16/h1-2,5,15H,3-4H2
InChIKeyNVJLJAGITXTQQB-UHFFFAOYSA-N
XLogP2.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.08
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,3-difluoro-4-iodophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 71030094
5-(hydroxymethyl)-3-(2-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 19773689
(5R)-3-[2,3-difluoro-4-[6-(2-oxo-1,3-oxazolidin-3-yl)-3-pyridinyl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 56928300
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
3-[3-fluoro-4-(4-oxopiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 68698798
3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 70866084
3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 54334011
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
(5S)-5-(aminomethyl)-3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 44607680
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
(5R)-3-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 101167179

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 76610876) is 3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1OC(CO)CN1c1ccc(Br)c(F)c1F.
What is the InChIKey of 3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is NVJLJAGITXTQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF2NO3/c11-6-1-2-7(9(13)8(6)12)14-3-5(4-15)17-10(14)16/h1-2,5,15H,3-4H2.
What are the key properties of 3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 308.08 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,3-difluorophenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 76610876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).