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

C9H7BrFNO2 — CID 130692620

IUPAC(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cccc(Br)c2F)CO1
InChIInChI=1S/C9H7BrFNO2/c10-6-3-1-2-5(8(6)11)7-4-14-9(13)12-7/h1-3,7H,4H2,(H,12,13)/t7-/m1/s1
InChIKeyJKSSJVABIYZXAR-SSDOTTSWSA-N
MW260.06 g/mol
LogP2.37
Rot. Bonds1

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

(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 130692620) has the molecular formula C9H7BrFNO2 and a molecular weight of 260.06 g/mol. Its IUPAC name is (4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID130692620
Molecular FormulaC9H7BrFNO2
Molecular Weight260.06 g/mol
Exact Mass258.96
IUPAC Name(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](c2cccc(Br)c2F)CO1
InChIInChI=1S/C9H7BrFNO2/c10-6-3-1-2-5(8(6)11)7-4-14-9(13)12-7/h1-3,7H,4H2,(H,12,13)/t7-/m1/s1
InChIKeyJKSSJVABIYZXAR-SSDOTTSWSA-N
XLogP2.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.06
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-(2-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one
CID 131085137
(4S)-4-(3-chloro-2-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184031
(4R)-4-[3-fluoro-2-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
CID 171184655
(4R)-4-(3-bromo-2,6-difluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184446
(4S)-4-(3-bromo-2-fluorophenyl)imidazolidin-2-one
CID 130707431
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344
(4S)-4-(2-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067480
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one
CID 130067475
(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184817
(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 130067450
(4S)-4-(2-bromo-4-methylphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183818
(4R)-4-(3-bromo-2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184969

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one (CID 130692620) is (4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one is O=C1N[C@@H](c2cccc(Br)c2F)CO1.
What is the InChIKey of (4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is JKSSJVABIYZXAR-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H7BrFNO2/c10-6-3-1-2-5(8(6)11)7-4-14-9(13)12-7/h1-3,7H,4H2,(H,12,13)/t7-/m1/s1.
What are the key properties of (4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one?
(4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 260.06 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3-bromo-2-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130692620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).