5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

C8H6N2O3S — CID 79807517

IUPAC5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCc1cscc1-c1nc(C(=O)O)no1
InChIInChI=1S/C8H6N2O3S/c1-4-2-14-3-5(4)7-9-6(8(11)12)10-13-7/h2-3H,1H3,(H,11,12)
InChIKeyUOOGGYSVLGXNKO-UHFFFAOYSA-N
MW210.21 g/mol
LogP1.80
Rot. Bonds2

About 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid

5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 79807517) has the molecular formula C8H6N2O3S and a molecular weight of 210.21 g/mol. Its IUPAC name is 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID79807517
Molecular FormulaC8H6N2O3S
Molecular Weight210.21 g/mol
Exact Mass210.01
IUPAC Name5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCc1cscc1-c1nc(C(=O)O)no1
InChIInChI=1S/C8H6N2O3S/c1-4-2-14-3-5(4)7-9-6(8(11)12)10-13-7/h2-3H,1H3,(H,11,12)
InChIKeyUOOGGYSVLGXNKO-UHFFFAOYSA-N
XLogP1.80
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.21
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 79807411
5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 107983761
5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-amine
CID 79808865
N-[4-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 100689196
5-(2-amino-5-ethylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631981
5-(2-methoxy-4-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 82663419
5-(3-ethyl-6-methylpyridazin-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104672245
5-(2-fluorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 53418234
5-(2-amino-3-chlorophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 107051145
5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383042
5-(1-methyltriazol-4-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 130521162
5-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112632032

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid (CID 79807517) is 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid is Cc1cscc1-c1nc(C(=O)O)no1.
What is the InChIKey of 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is UOOGGYSVLGXNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3S/c1-4-2-14-3-5(4)7-9-6(8(11)12)10-13-7/h2-3H,1H3,(H,11,12).
What are the key properties of 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 210.21 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylthiophen-3-yl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 79807517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).