4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid

C10H10N2O3S — CID 104842317

IUPAC4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2scnc2C)oc1C(=O)O
InChIInChI=1S/C10H10N2O3S/c1-3-6-7(10(13)14)15-9(12-6)8-5(2)11-4-16-8/h4H,3H2,1-2H3,(H,13,14)
InChIKeyUZWMHGPMRCEWLY-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.37
Rot. Bonds3

About 4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid

4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 104842317) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is 4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID104842317
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2scnc2C)oc1C(=O)O
InChIInChI=1S/C10H10N2O3S/c1-3-6-7(10(13)14)15-9(12-6)8-5(2)11-4-16-8/h4H,3H2,1-2H3,(H,13,14)
InChIKeyUZWMHGPMRCEWLY-UHFFFAOYSA-N
XLogP2.37
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethylfuran-3-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842341
ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate
CID 114372123
4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842478
2-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459772
2-(5-bromofuran-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842524
2-(4,5-dibromothiophen-2-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842530
2-(4-bromo-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842561
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
[4-methyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazol-5-yl]methanamine
CID 130856930
2-(2,4-dimethyl-1,3-thiazol-5-yl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114033584
4-ethyl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 83673039
2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842363

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid (CID 104842317) is 4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid is CCc1nc(-c2scnc2C)oc1C(=O)O.
What is the InChIKey of 4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is UZWMHGPMRCEWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c1-3-6-7(10(13)14)15-9(12-6)8-5(2)11-4-16-8/h4H,3H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid?
4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 238.27 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 104842317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).