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

C9H8FNO3 — CID 130147402

IUPAC4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2cc(F)ccc2O)CO1
InChIInChI=1S/C9H8FNO3/c10-5-1-2-8(12)6(3-5)7-4-14-9(13)11-7/h1-3,7,12H,4H2,(H,11,13)
InChIKeySULHIFMMSBOIFE-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.31
Rot. Bonds1

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

4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 130147402) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is 4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID130147402
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2cc(F)ccc2O)CO1
InChIInChI=1S/C9H8FNO3/c10-5-1-2-8(12)6(3-5)7-4-14-9(13)11-7/h1-3,7,12H,4H2,(H,11,13)
InChIKeySULHIFMMSBOIFE-UHFFFAOYSA-N
XLogP1.31
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(2,4-difluorophenyl)-1,3-oxazolidin-2-one
CID 130067450
(4R)-4-(2-chloro-5-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184397
(4R)-4-(2-hydroxy-5-methoxyphenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184351
(4S)-4-(2,5-difluorophenyl)-1,3-oxazinan-2-one
CID 171185621
(4S)-4-(2,5-dihydroxyphenyl)-1,3-oxazinan-2-one
CID 131484936
(4S)-4-(2,3,5-trifluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183884
2-[(2S)-azetidin-2-yl]-4-fluorophenol
CID 55277686
(4R)-4-(4-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184269
4-(3,4-dihydroxyphenyl)-1,3-oxazolidin-2-one
CID 130144619
(4S)-4-(3-bromo-4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 131100701
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
(4R)-4-[4-(diethylamino)-2-hydroxyphenyl]-1,3-oxazolidin-2-one
CID 171184224

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 130147402) is 4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one is O=C1NC(c2cc(F)ccc2O)CO1.
What is the InChIKey of 4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is SULHIFMMSBOIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3/c10-5-1-2-8(12)6(3-5)7-4-14-9(13)11-7/h1-3,7,12H,4H2,(H,11,13).
What are the key properties of 4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one?
4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 197.16 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130147402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).