5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one

C10H11NO2S — CID 166026348

IUPAC5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCC1CN(c2ccc(S)cc2)C(=O)O1
InChIInChI=1S/C10H11NO2S/c1-7-6-11(10(12)13-7)8-2-4-9(14)5-3-8/h2-5,7,14H,6H2,1H3
InChIKeyPNWSCADHQLUKJB-UHFFFAOYSA-N
MW209.27 g/mol
LogP2.32
Rot. Bonds1

About 5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one

5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one (PubChem CID 166026348) has the molecular formula C10H11NO2S and a molecular weight of 209.27 g/mol. Its IUPAC name is 5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one
PubChem CID166026348
Molecular FormulaC10H11NO2S
Molecular Weight209.27 g/mol
Exact Mass209.05
IUPAC Name5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCC1CN(c2ccc(S)cc2)C(=O)O1
InChIInChI=1S/C10H11NO2S/c1-7-6-11(10(12)13-7)8-2-4-9(14)5-3-8/h2-5,7,14H,6H2,1H3
InChIKeyPNWSCADHQLUKJB-UHFFFAOYSA-N
XLogP2.32
TPSA29.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-(4-aminophenyl)-5-methyl-1,3-oxazolidin-2-one
CID 59742698
3-(4-hydroxyphenyl)-5-methyl-1,3-oxazolidin-2-one
CID 105446773
(5S)-3-[4-(2-hydroxythiomorpholin-4-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 90971269
3-[3-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458801
5-methyl-3-pyrimidin-2-yl-1,3-oxazolidin-2-one
CID 141348613
5-methyl-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 102338604
3-[2-(aminomethyl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 105458799
3-[4-[4-(chloromethyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-oxazolidin-2-one
CID 143068646
3-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 142270175
(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
3-(4-acetylphenyl)-2-oxo-1,3-oxazolidine-5-carbaldehyde
CID 131865685
[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl methanesulfonate
CID 14368941

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one (CID 166026348) is 5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one is CC1CN(c2ccc(S)cc2)C(=O)O1.
What is the InChIKey of 5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is PNWSCADHQLUKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2S/c1-7-6-11(10(12)13-7)8-2-4-9(14)5-3-8/h2-5,7,14H,6H2,1H3.
What are the key properties of 5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one?
5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 209.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-sulfanylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 166026348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).