5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one

C11H13NO4S — CID 13038088

IUPAC5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one
SMILESCS(=O)c1ccc(N2CC(CO)OC2=O)cc1
InChIInChI=1S/C11H13NO4S/c1-17(15)10-4-2-8(3-5-10)12-6-9(7-13)16-11(12)14/h2-5,9,13H,6-7H2,1H3
InChIKeyIMUUUXGMEIYBNX-UHFFFAOYSA-N
MW255.29 g/mol
LogP0.74
Rot. Bonds3

About 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one

5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one (PubChem CID 13038088) has the molecular formula C11H13NO4S and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one
PubChem CID13038088
Molecular FormulaC11H13NO4S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one
SMILESCS(=O)c1ccc(N2CC(CO)OC2=O)cc1
InChIInChI=1S/C11H13NO4S/c1-17(15)10-4-2-8(3-5-10)12-6-9(7-13)16-11(12)14/h2-5,9,13H,6-7H2,1H3
InChIKeyIMUUUXGMEIYBNX-UHFFFAOYSA-N
XLogP0.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-3-(4-acetylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 15591327
5-(hydroxymethyl)-3-(4-morpholin-4-ylphenyl)-1,3-oxazolidin-2-one
CID 22014481
4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoic acid
CID 117063705
5-(hydroxymethyl)-3-[4-(methoxyamino)phenyl]-1,3-oxazolidin-2-one
CID 143663891
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
(5R)-5-(hydroxymethyl)-3-(4-nitrophenyl)-1,3-oxazolidin-2-one
CID 58777713
5-(hydroxymethyl)-3-naphthalen-2-yl-1,3-oxazolidin-2-one
CID 19012505
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66736976
1-[4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441457
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
(5S)-3-[4-(2-azidoethyl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 59667582

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one (CID 13038088) is 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one is CS(=O)c1ccc(N2CC(CO)OC2=O)cc1.
What is the InChIKey of 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is IMUUUXGMEIYBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4S/c1-17(15)10-4-2-8(3-5-10)12-6-9(7-13)16-11(12)14/h2-5,9,13H,6-7H2,1H3.
What are the key properties of 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one?
5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 255.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-(4-methylsulfinylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 13038088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).