3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one

C17H14FNO5S — CID 139782249

IUPAC3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one
SMILESCS(=O)(=O)c1ccc(-c2c(CO)oc(=O)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO5S/c1-25(22,23)14-8-2-11(3-9-14)16-15(10-20)24-17(21)19(16)13-6-4-12(18)5-7-13/h2-9,20H,10H2,1H3
InChIKeyLKBSIYKNAMKDRU-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.13
Rot. Bonds4

About 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one

3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one (PubChem CID 139782249) has the molecular formula C17H14FNO5S and a molecular weight of 363.37 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one
PubChem CID139782249
Molecular FormulaC17H14FNO5S
Molecular Weight363.37 g/mol
Exact Mass363.06
IUPAC Name3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one
SMILESCS(=O)(=O)c1ccc(-c2c(CO)oc(=O)n2-c2ccc(F)cc2)cc1
InChIInChI=1S/C17H14FNO5S/c1-25(22,23)14-8-2-11(3-9-14)16-15(10-20)24-17(21)19(16)13-6-4-12(18)5-7-13/h2-9,20H,10H2,1H3
InChIKeyLKBSIYKNAMKDRU-UHFFFAOYSA-N
XLogP2.13
TPSA89.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-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

3-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)imidazol-2-one
CID 139782261
2-hydroxyethyl 2-[4-amino-1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]acetate
CID 140610855
3-[1-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)pyrrol-2-yl]propanoic acid
CID 10524261
1-[5-bromo-3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)pyrrol-1-yl]ethanone
CID 10071673
[4-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-1H-pyrrol-3-yl]methanol
CID 70204843
1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-(2-propylsulfinylethyl)pyrrole
CID 155521151
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1-phenyl-4-(trifluoromethyl)pyrrole
CID 59125671
4-(4-fluorophenyl)-2,5-bis(4-methylsulfonylphenyl)pyridazin-3-one
CID 10185280
[4-[2-(4-methylsulfonylphenyl)pyrrol-1-yl]phenyl]methanol
CID 21221458
4-fluoro-2-[2-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethyl]benzoic acid
CID 68803049
5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole
CID 18463709
1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)-3-(2-propylsulfonylethyl)pyrrole
CID 155532119

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one?
The IUPAC name of 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one (CID 139782249) is 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one?
The canonical SMILES for 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one is CS(=O)(=O)c1ccc(-c2c(CO)oc(=O)n2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one?
The InChIKey is LKBSIYKNAMKDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO5S/c1-25(22,23)14-8-2-11(3-9-14)16-15(10-20)24-17(21)19(16)13-6-4-12(18)5-7-13/h2-9,20H,10H2,1H3.
What are the key properties of 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one?
3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one has a molecular weight of 363.37 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(hydroxymethyl)-4-(4-methylsulfonylphenyl)-1,3-oxazol-2-one is sourced from PubChem (CID 139782249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).