5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid

C9H7NO3S2 — CID 61397494

IUPAC5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CSc2cccs2)on1
InChIInChI=1S/C9H7NO3S2/c11-9(12)7-4-6(13-10-7)5-15-8-2-1-3-14-8/h1-4H,5H2,(H,11,12)
InChIKeyMBXLWHPQYLUHOR-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.73
Rot. Bonds4

About 5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid

5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 61397494) has the molecular formula C9H7NO3S2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID61397494
Molecular FormulaC9H7NO3S2
Molecular Weight241.29 g/mol
Exact Mass240.99
IUPAC Name5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CSc2cccs2)on1
InChIInChI=1S/C9H7NO3S2/c11-9(12)7-4-6(13-10-7)5-15-8-2-1-3-14-8/h1-4H,5H2,(H,11,12)
InChIKeyMBXLWHPQYLUHOR-UHFFFAOYSA-N
XLogP2.73
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(thiophen-2-ylsulfanylmethyl)-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

Related Compounds

5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397335
5-[(2-aminophenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397383
5-[(3-hydroxyphenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 104589939
5-[[4-(trifluoromethyl)phenyl]sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 11231947
5-(benzylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397512
5-(2-hydroxyethylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397277
5-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103257810
5-hydroxy-2-(thiophen-2-ylsulfanylmethyl)pyran-4-one
CID 71918867
5-[(2-amino-4-fluorophenyl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397385
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397490
3-(thiophen-2-ylsulfanylmethyl)pyridine-2-carboxylic acid
CID 63098916
5-[(4-chlorophenyl)sulfinylmethyl]-1,2-oxazole-3-carboxylic acid
CID 61397915

Frequently Asked Questions

What is the IUPAC name of 5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid (CID 61397494) is 5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CSc2cccs2)on1.
What is the InChIKey of 5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is MBXLWHPQYLUHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3S2/c11-9(12)7-4-6(13-10-7)5-15-8-2-1-3-14-8/h1-4H,5H2,(H,11,12).
What are the key properties of 5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid?
5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(thiophen-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).