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

C8H5NO3S — CID 6484107

IUPAC3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)no1
InChIInChI=1S/C8H5NO3S/c10-8(11)6-4-5(9-12-6)7-2-1-3-13-7/h1-4H,(H,10,11)
InChIKeyZIZYDOPDWVOYAZ-UHFFFAOYSA-N
MW195.20 g/mol
LogP2.10
Rot. Bonds2

About 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid

3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid (PubChem CID 6484107) has the molecular formula C8H5NO3S and a molecular weight of 195.20 g/mol. Its IUPAC name is 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid
PubChem CID6484107
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)no1
InChIInChI=1S/C8H5NO3S/c10-8(11)6-4-5(9-12-6)7-2-1-3-13-7/h1-4H,(H,10,11)
InChIKeyZIZYDOPDWVOYAZ-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

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Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid (CID 6484107) is 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2cccs2)no1.
What is the InChIKey of 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid?
The InChIKey is ZIZYDOPDWVOYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-8(11)6-4-5(9-12-6)7-2-1-3-13-7/h1-4H,(H,10,11).
What are the key properties of 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid?
3-thiophen-2-yl-1,2-oxazole-5-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 3-thiophen-2-yl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 6484107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).