5-methylsulfanyl-1,2-oxazole-3-carboxylic acid

C5H5NO3S — CID 83851790

IUPAC5-methylsulfanyl-1,2-oxazole-3-carboxylic acid
SMILESCSc1cc(C(=O)O)no1
InChIInChI=1S/C5H5NO3S/c1-10-4-2-3(5(7)8)6-9-4/h2H,1H3,(H,7,8)
InChIKeyUITDKNUZFNGWSK-UHFFFAOYSA-N
MW159.17 g/mol
LogP1.09
Rot. Bonds2

About 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid

5-methylsulfanyl-1,2-oxazole-3-carboxylic acid (PubChem CID 83851790) has the molecular formula C5H5NO3S and a molecular weight of 159.17 g/mol. Its IUPAC name is 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-methylsulfanyl-1,2-oxazole-3-carboxylic acid
PubChem CID83851790
Molecular FormulaC5H5NO3S
Molecular Weight159.17 g/mol
Exact Mass159.00
IUPAC Name5-methylsulfanyl-1,2-oxazole-3-carboxylic acid
SMILESCSc1cc(C(=O)O)no1
InChIInChI=1S/C5H5NO3S/c1-10-4-2-3(5(7)8)6-9-4/h2H,1H3,(H,7,8)
InChIKeyUITDKNUZFNGWSK-UHFFFAOYSA-N
XLogP1.09
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid (CID 83851790) is 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid is CSc1cc(C(=O)O)no1.
What is the InChIKey of 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid?
The InChIKey is UITDKNUZFNGWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO3S/c1-10-4-2-3(5(7)8)6-9-4/h2H,1H3,(H,7,8).
What are the key properties of 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid?
5-methylsulfanyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 159.17 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 83851790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).