3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one

C12H14FNO3 — CID 115064779

IUPAC3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCO)CN(c2cccc(F)c2)C(=O)O1
InChIInChI=1S/C12H14FNO3/c1-12(5-6-15)8-14(11(16)17-12)10-4-2-3-9(13)7-10/h2-4,7,15H,5-6,8H2,1H3
InChIKeyVAJBYMRUIFYZQS-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.92
Rot. Bonds3

About 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one

3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one (PubChem CID 115064779) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
PubChem CID115064779
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
SMILESCC1(CCO)CN(c2cccc(F)c2)C(=O)O1
InChIInChI=1S/C12H14FNO3/c1-12(5-6-15)8-14(11(16)17-12)10-4-2-3-9(13)7-10/h2-4,7,15H,5-6,8H2,1H3
InChIKeyVAJBYMRUIFYZQS-UHFFFAOYSA-N
XLogP1.92
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(hydroxymethyl)-5-methyl-3-phenyl-1,3-oxazolidin-2-one
CID 115064715
3-(2-chlorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one
CID 115064794
3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56773862
3-(3-fluorophenyl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 77164925
5-(3-aminopropyl)-3-[(3-fluorophenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 115065239
1-(3-fluorophenyl)-7,7-dimethyl-1,5-diazocan-2-one
CID 117014978
2-[2-(dimethylamino)acetyl]-9-(3-fluorophenyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 155986078
2-(3-fluorophenyl)-7-propylsulfonyl-2,7-diazaspiro[3.5]nonan-3-one
CID 97472958
(5R)-5-(2,2-dimethylpropyl)-3-(3-fluorophenyl)-1,3-oxazolidin-2-one
CID 58836526
6-(2-hydroxyethyl)-6-methyl-4-(4-methylphenyl)morpholin-3-one
CID 115067682
4-(3-fluorophenyl)-9-[(4-methylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985884
3-(3-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 155986489

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one (CID 115064779) is 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one is CC1(CCO)CN(c2cccc(F)c2)C(=O)O1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is VAJBYMRUIFYZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c1-12(5-6-15)8-14(11(16)17-12)10-4-2-3-9(13)7-10/h2-4,7,15H,5-6,8H2,1H3.
What are the key properties of 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one?
3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 239.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(2-hydroxyethyl)-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 115064779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).