[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol

C11H11NO4S — CID 79145795

IUPAC[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2ocnc2CO)cc1
InChIInChI=1S/C11H11NO4S/c1-17(14,15)9-4-2-8(3-5-9)11-10(6-13)12-7-16-11/h2-5,7,13H,6H2,1H3
InChIKeyLATVJRNTFCHCDV-UHFFFAOYSA-N
MW253.28 g/mol
LogP1.24
Rot. Bonds3

About [5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol

[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol (PubChem CID 79145795) has the molecular formula C11H11NO4S and a molecular weight of 253.28 g/mol. Its IUPAC name is [5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol
PubChem CID79145795
Molecular FormulaC11H11NO4S
Molecular Weight253.28 g/mol
Exact Mass253.04
IUPAC Name[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol
SMILESCS(=O)(=O)c1ccc(-c2ocnc2CO)cc1
InChIInChI=1S/C11H11NO4S/c1-17(14,15)9-4-2-8(3-5-9)11-10(6-13)12-7-16-11/h2-5,7,13H,6H2,1H3
InChIKeyLATVJRNTFCHCDV-UHFFFAOYSA-N
XLogP1.24
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Phenyl-1,3-oxazol-4-yl)methanol
CID 2776302
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-oxazole
CID 17876325
5-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-oxazole
CID 17876403
[5-(4-Fluoro-phenyl)-2-methylsulfanyl-oxazol-4-yl]-methanol
CID 18700449
4-[2-(4-Fluorophenyl)-2-phenylethyl]-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 57089939
1-(4-Fluorophenyl)-2-[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]-1-phenylethanol
CID 57191753
Pentafluoro-[4-(4-methyl-1,3-oxazol-5-yl)phenyl]-lambda6-sulfane
CID 91041534
Phenyl-(5-phenyl-1,3-oxazol-4-yl)methanol
CID 11622956
1-[5-(2-Fluorophenyl)-1,3-oxazol-4-yl]ethenol
CID 59068673
[5-(2,4,6-Trifluorophenyl)-1,3-oxazol-4-yl]methanol
CID 79144664
[5-(3,5-Difluorophenyl)-1,3-oxazol-4-yl]methanol
CID 79144669
[5-(3-Fluorophenyl)-1,3-oxazol-4-yl]methanol
CID 79144950

Frequently Asked Questions

What is the IUPAC name of [5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol?
The IUPAC name of [5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol (CID 79145795) is [5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol is CS(=O)(=O)c1ccc(-c2ocnc2CO)cc1.
What is the InChIKey of [5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol?
The InChIKey is LATVJRNTFCHCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4S/c1-17(14,15)9-4-2-8(3-5-9)11-10(6-13)12-7-16-11/h2-5,7,13H,6H2,1H3.
What are the key properties of [5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol?
[5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol has a molecular weight of 253.28 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methylsulfonylphenyl)-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 79145795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).