5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid

C8H4ClNO3S — CID 71695554

IUPAC5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1ccc(Cl)s1
InChIInChI=1S/C8H4ClNO3S/c9-6-2-1-5(14-6)7-4(8(11)12)3-10-13-7/h1-3H,(H,11,12)
InChIKeyZSTCCJSOOXRQSR-UHFFFAOYSA-N
MW229.64 g/mol
LogP2.75
Rot. Bonds2

About 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid

5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid (PubChem CID 71695554) 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-4-carboxylic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
PubChem CID71695554
Molecular FormulaC8H4ClNO3S
Molecular Weight229.64 g/mol
Exact Mass228.96
IUPAC Name5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1-c1ccc(Cl)s1
InChIInChI=1S/C8H4ClNO3S/c9-6-2-1-5(14-6)7-4(8(11)12)3-10-13-7/h1-3H,(H,11,12)
InChIKeyZSTCCJSOOXRQSR-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-4-carboxylic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid (CID 71695554) is 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is ZSTCCJSOOXRQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO3S/c9-6-2-1-5(14-6)7-4(8(11)12)3-10-13-7/h1-3H,(H,11,12).
What are the key properties of 5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-carboxylic acid?
5-(5-chlorothiophen-2-yl)-1,2-oxazole-4-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-4-carboxylic acid is sourced from PubChem (CID 71695554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).