5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid

C8H5NO3S — CID 22309076

IUPAC5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1cccs1
InChIInChI=1S/C8H5NO3S/c10-8(11)5-4-9-12-7(5)6-2-1-3-13-6/h1-4H,(H,10,11)
InChIKeyASSDHSCKHFBLII-UHFFFAOYSA-N
MW195.20 g/mol
LogP2.10
Rot. Bonds2

About 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid

5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid (PubChem CID 22309076) has the molecular formula C8H5NO3S and a molecular weight of 195.20 g/mol. Its IUPAC name is 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
PubChem CID22309076
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1cccs1
InChIInChI=1S/C8H5NO3S/c10-8(11)5-4-9-12-7(5)6-2-1-3-13-6/h1-4H,(H,10,11)
InChIKeyASSDHSCKHFBLII-UHFFFAOYSA-N
XLogP2.10
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-thiophen-2-yl-1,2-oxazole-4-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-(2,6-difluorophenyl)-1,2-oxazole-4-carboxylic acid
CID 112706804
5-(furan-3-yl)-1,2-oxazole-4-carboxylic acid
CID 75356057
2-chloro-5-thiophen-2-ylpyridine-3-carboxylic acid
CID 53222494
3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
CID 28806054
4-pyrazin-2-yl-5-thiophen-2-yl-1,2-oxazole
CID 73439763
5-(4-methyl-3-pyridinyl)-1,2-oxazole-4-carboxylic acid
CID 131572455
3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9317168
2-amino-5-thiophen-2-ylbenzoic acid
CID 16768750
6-thiophen-2-ylpyridine-3-carboxylic acid
CID 15411144
4-methyl-6-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 150937146
1-(5-thiophen-2-yl-1,2-oxazol-3-yl)cyclobutane-1-carboxylic acid
CID 102543851
2-methylsulfanyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119497

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid (CID 22309076) is 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1-c1cccs1.
What is the InChIKey of 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
The InChIKey is ASSDHSCKHFBLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-8(11)5-4-9-12-7(5)6-2-1-3-13-6/h1-4H,(H,10,11).
What are the key properties of 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid?
5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid has a molecular weight of 195.20 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-thiophen-2-yl-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 22309076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).