5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid

C8H4ClNO3S — CID 16786068

IUPAC5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C8H4ClNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12)
InChIKeyJMQBVJRNJFBDFK-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.75
Rot. Bonds2

About 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid

5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid (PubChem CID 16786068) has the molecular formula C8H4ClNO3S and a molecular weight of 229.64 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
PubChem CID16786068
Molecular FormulaC8H4ClNO3S
Molecular Weight229.64 g/mol
Exact Mass228.96
IUPAC Name5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C8H4ClNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12)
InChIKeyJMQBVJRNJFBDFK-UHFFFAOYSA-N
XLogP2.75
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.64
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid (CID 16786068) is 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is JMQBVJRNJFBDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO3S/c9-7-2-1-6(14-7)5-3-4(8(11)12)10-13-5/h1-3H,(H,11,12).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid?
5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 229.64 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 16786068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).