5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid

C11H9NO4S — CID 104589939

IUPAC5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CSc2cccc(O)c2)on1
InChIInChI=1S/C11H9NO4S/c13-7-2-1-3-9(4-7)17-6-8-5-10(11(14)15)12-16-8/h1-5,13H,6H2,(H,14,15)
InChIKeyUWIPZOTYLIYGOD-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.37
Rot. Bonds4

About 5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid

5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 104589939) has the molecular formula C11H9NO4S and a molecular weight of 251.26 g/mol. Its IUPAC name is 5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
PubChem CID104589939
Molecular FormulaC11H9NO4S
Molecular Weight251.26 g/mol
Exact Mass251.03
IUPAC Name5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CSc2cccc(O)c2)on1
InChIInChI=1S/C11H9NO4S/c13-7-2-1-3-9(4-7)17-6-8-5-10(11(14)15)12-16-8/h1-5,13H,6H2,(H,14,15)
InChIKeyUWIPZOTYLIYGOD-UHFFFAOYSA-N
XLogP2.37
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid (CID 104589939) is 5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CSc2cccc(O)c2)on1.
What is the InChIKey of 5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is UWIPZOTYLIYGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4S/c13-7-2-1-3-9(4-7)17-6-8-5-10(11(14)15)12-16-8/h1-5,13H,6H2,(H,14,15).
What are the key properties of 5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid?
5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 251.26 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 104589939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).