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

C7H4N2O3S — CID 100950298

IUPAC3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2nccs2)no1
InChIInChI=1S/C7H4N2O3S/c10-7(11)5-3-4(9-12-5)6-8-1-2-13-6/h1-3H,(H,10,11)
InChIKeyIJDISWFMXBLGQC-UHFFFAOYSA-N
MW196.19 g/mol
LogP1.50
Rot. Bonds2

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

3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 100950298) has the molecular formula C7H4N2O3S and a molecular weight of 196.19 g/mol. Its IUPAC name is 3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID100950298
Molecular FormulaC7H4N2O3S
Molecular Weight196.19 g/mol
Exact Mass195.99
IUPAC Name3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1cc(-c2nccs2)no1
InChIInChI=1S/C7H4N2O3S/c10-7(11)5-3-4(9-12-5)6-8-1-2-13-6/h1-3H,(H,10,11)
InChIKeyIJDISWFMXBLGQC-UHFFFAOYSA-N
XLogP1.50
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136998648
3-(3-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991111
3-(2-methylpyrimidin-4-yl)-1,2-oxazole-5-carboxylic acid
CID 115527351
3-(4-chloro-2,3-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991054
3-pyridazin-4-yl-1,2-oxazole-5-carboxylic acid
CID 59438307
3-(5-chloro-2,3-difluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136931933
5-(1,3-thiazol-2-ylsulfanylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397335
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991106
5-[3-(4-benzylpiperazin-1-yl)propyl]-3-(1,3-thiazol-2-yl)-1,2-oxazole
CID 10133646
3-cyclohexa-1,5-dien-1-yl-1,2-oxazole-5-carboxylic acid
CID 121448158
3-(5-methylimidazo[2,1-b][1,3]thiazol-6-yl)-1,2-oxazole-5-carboxylic acid
CID 82373611
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid (CID 100950298) is 3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid is O=C(O)c1cc(-c2nccs2)no1.
What is the InChIKey of 3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is IJDISWFMXBLGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3S/c10-7(11)5-3-4(9-12-5)6-8-1-2-13-6/h1-3H,(H,10,11).
What are the key properties of 3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid?
3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 196.19 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-thiazol-2-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 100950298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).