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

C8H5NO3S — CID 3157098

IUPAC5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)on1
InChIInChI=1S/C8H5NO3S/c10-8(11)5-4-6(12-9-5)7-2-1-3-13-7/h1-4H,(H,10,11)
InChIKeyOBTRHBQUXRJHJR-UHFFFAOYSA-N
MW195.20 g/mol
LogP2.10
Rot. Bonds2

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

5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid (PubChem CID 3157098) 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-3-carboxylic acid.

Molecular Properties

Compound Name5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid
PubChem CID3157098
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Name5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2cccs2)on1
InChIInChI=1S/C8H5NO3S/c10-8(11)5-4-6(12-9-5)7-2-1-3-13-7/h1-4H,(H,10,11)
InChIKeyOBTRHBQUXRJHJR-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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Related Compounds

[5-(Thiophen-2-yl)-1,2-oxazol-3-yl]methanol
CID 2776547
5-(5-Chlorothiophen-2-yl)-1,2-oxazole-3-carboxylic acid
CID 16786068
Ethyl 5-(thiophen-2-yl)-1,2-oxazole-3-carboxylate
CID 2745138
3-[3-(4-Methylcyclohexyl)-1,2-oxazol-5-yl]-5-phenylthiophene-2-carboxylic acid
CID 49863114
Methyl 5-(2-thienyl)isoxazole-3-carboxylate
CID 1256578
5-Thiophen-2-yl-isoxazole-3-carbaldehyde
CID 2776546
3-(Thiophen-2-yl)-1,2-oxazole-5-carboxylic acid
CID 6484107
5-(Thiophen-2-yl)-1,2-oxazole-3-carboxamide
CID 24859007
5-(Thiophen-3-yl)-1,2-oxazole-3-carboxylic acid
CID 49949595
5-(3-Thienyl)isoxazole-3-carbaldehyde
CID 57815525
2-((5-(Thiophen-2-yl)isoxazol-3-yl)methoxy)acetic acid
CID 116414660
5-(3,5-Dimethyl-isoxazol-4-ylmethyl)-thiophene-2-carboxylic acid
CID 6492054

Frequently Asked Questions

What is the IUPAC name of 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid (CID 3157098) is 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2cccs2)on1.
What is the InChIKey of 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid?
The InChIKey is OBTRHBQUXRJHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-8(11)5-4-6(12-9-5)7-2-1-3-13-7/h1-4H,(H,10,11).
What are the key properties of 5-thiophen-2-yl-1,2-oxazole-3-carboxylic acid?
5-thiophen-2-yl-1,2-oxazole-3-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-3-carboxylic acid is sourced from PubChem (CID 3157098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).