3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid

C7H4N2O3S — CID 28806054

IUPAC3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)no1
InChIInChI=1S/C7H4N2O3S/c10-7(11)6-8-5(9-12-6)4-2-1-3-13-4/h1-3H,(H,10,11)
InChIKeySNYYHZDGLWGPIJ-UHFFFAOYSA-N
MW196.19 g/mol
LogP1.50
Rot. Bonds2

About 3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid

3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 28806054) has the molecular formula C7H4N2O3S and a molecular weight of 196.19 g/mol. Its IUPAC name is 3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID28806054
Molecular FormulaC7H4N2O3S
Molecular Weight196.19 g/mol
Exact Mass195.99
IUPAC Name3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid
SMILESO=C(O)c1nc(-c2cccs2)no1
InChIInChI=1S/C7H4N2O3S/c10-7(11)6-8-5(9-12-6)4-2-1-3-13-4/h1-3H,(H,10,11)
InChIKeySNYYHZDGLWGPIJ-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

4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]benzoic acid
CID 9037516
N-(2-hydroxyethyl)-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 29127652
3-carbamoyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 71419452
5-[(Z)-1-chloro-2-thiophen-2-ylethenyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9037450
3-(1,3-thiazol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 96590921
N-[2-[(4-tert-butylbenzoyl)amino]ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 17083296
2-[4-[(Z)-2-chloro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethenyl]phenoxy]acetic acid
CID 45281715
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751
[2-(2-hydroxyethyl)piperidin-1-yl]-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanone
CID 42652250
N-[(2-methylpyrazol-3-yl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 19586659
N-methoxy-N-methyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 134012548
2,2-dimethyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)cyclopropane-1-carboxylic acid
CID 64835383

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid (CID 28806054) is 3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid is O=C(O)c1nc(-c2cccs2)no1.
What is the InChIKey of 3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is SNYYHZDGLWGPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O3S/c10-7(11)6-8-5(9-12-6)4-2-1-3-13-4/h1-3H,(H,10,11).
What are the key properties of 3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid?
3-thiophen-2-yl-1,2,4-oxadiazole-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-thiophen-2-yl-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 28806054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).