2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid

C9H7NO5S — CID 90708458

IUPAC2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(c1cccs1)n1cc(O)oc1=O
InChIInChI=1S/C9H7NO5S/c11-6-4-10(9(14)15-6)7(8(12)13)5-2-1-3-16-5/h1-4,7,11H,(H,12,13)
InChIKeyHTMJDDRPZRPEDC-UHFFFAOYSA-N
MW241.22 g/mol
LogP0.88
Rot. Bonds3

About 2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid

2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid (PubChem CID 90708458) has the molecular formula C9H7NO5S and a molecular weight of 241.22 g/mol. Its IUPAC name is 2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid
PubChem CID90708458
Molecular FormulaC9H7NO5S
Molecular Weight241.22 g/mol
Exact Mass241.00
IUPAC Name2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid
SMILESO=C(O)C(c1cccs1)n1cc(O)oc1=O
InChIInChI=1S/C9H7NO5S/c11-6-4-10(9(14)15-6)7(8(12)13)5-2-1-3-16-5/h1-4,7,11H,(H,12,13)
InChIKeyHTMJDDRPZRPEDC-UHFFFAOYSA-N
XLogP0.88
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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2-amino-2-thiophen-2-ylacetic acid;hydrochloride
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2-nitroso-2-thiophen-2-ylacetic acid
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2-(3,4-dimethylpiperazin-1-yl)-2-thiophen-2-ylacetic acid
CID 83979331
2-hydroxy-2-thiophen-2-ylacetic acid;propane-1,2,3-triol
CID 126740844
2-[(2-methylpyrazole-3-carbonyl)amino]-2-thiophen-2-ylacetic acid
CID 115283978
(2S)-2-amino-3-thiophen-2-ylbutanedioic acid
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(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
CID 6994519
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-thiophen-2-ylpropyl]chromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid (CID 90708458) is 2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid is O=C(O)C(c1cccs1)n1cc(O)oc1=O.
What is the InChIKey of 2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid?
The InChIKey is HTMJDDRPZRPEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5S/c11-6-4-10(9(14)15-6)7(8(12)13)5-2-1-3-16-5/h1-4,7,11H,(H,12,13).
What are the key properties of 2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid?
2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid has a molecular weight of 241.22 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxy-2-oxo-1,3-oxazol-3-yl)-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 90708458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).