4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one

C11H12FNO3 — CID 105482803

IUPAC4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2cccc(F)c2)N1CCO
InChIInChI=1S/C11H12FNO3/c12-9-3-1-2-8(6-9)10-7-16-11(15)13(10)4-5-14/h1-3,6,10,14H,4-5,7H2
InChIKeyBWELEYAKNIQEPU-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.31
Rot. Bonds3

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

4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one (PubChem CID 105482803) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one
PubChem CID105482803
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one
SMILESO=C1OCC(c2cccc(F)c2)N1CCO
InChIInChI=1S/C11H12FNO3/c12-9-3-1-2-8(6-9)10-7-16-11(15)13(10)4-5-14/h1-3,6,10,14H,4-5,7H2
InChIKeyBWELEYAKNIQEPU-UHFFFAOYSA-N
XLogP1.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
7-bromo-3-(3-fluorophenyl)-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 116837444
(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
ethane;3-(3-fluorophenyl)-2,3-dihydroimidazo[2,1-b][1,3]oxazole
CID 91412882
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
(8R)-8-(3-fluorophenyl)-2-(2-hydroxyethyl)-5,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),3(7),9,11(15)-tetraen-6-one
CID 170732223
3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one
CID 121209523
7-bromo-1-(3-fluorophenyl)-2-(2-hydroxyethyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 78203138
(4R)-4-(3-fluorophenyl)-1-(hydroxymethyl)pyrrolidin-2-one
CID 129391143
(2R)-2-(3-fluorophenyl)-3-[2-[(2R)-2-(3-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
CID 3066277
3-chloro-1-[3-(3-fluorophenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 134600413
(2S,5S)-2-ethyl-5-(3-fluorophenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxylic acid
CID 138487467

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one (CID 105482803) is 4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one is O=C1OCC(c2cccc(F)c2)N1CCO.
What is the InChIKey of 4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
The InChIKey is BWELEYAKNIQEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c12-9-3-1-2-8(6-9)10-7-16-11(15)13(10)4-5-14/h1-3,6,10,14H,4-5,7H2.
What are the key properties of 4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one?
4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one has a molecular weight of 225.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-3-(2-hydroxyethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 105482803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).