3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid

C13H8N2O3S — CID 11471260

IUPAC3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3cccs3)n2)c1
InChIInChI=1S/C13H8N2O3S/c16-13(17)9-4-1-3-8(7-9)11-14-12(18-15-11)10-5-2-6-19-10/h1-7H,(H,16,17)
InChIKeyIKNFAOPFEAGWDX-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.16
Rot. Bonds3

About 3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid

3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid (PubChem CID 11471260) has the molecular formula C13H8N2O3S and a molecular weight of 272.29 g/mol. Its IUPAC name is 3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
PubChem CID11471260
Molecular FormulaC13H8N2O3S
Molecular Weight272.29 g/mol
Exact Mass272.03
IUPAC Name3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2noc(-c3cccs3)n2)c1
InChIInChI=1S/C13H8N2O3S/c16-13(17)9-4-1-3-8(7-9)11-14-12(18-15-11)10-5-2-6-19-10/h1-7H,(H,16,17)
InChIKeyIKNFAOPFEAGWDX-UHFFFAOYSA-N
XLogP3.16
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

piperidin-1-yl-[3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 46321655
3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11483040
3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11357624
3-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 79975059
3-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 81119623
3-carbamoyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 71419452
3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11818444
3-[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11414183
3-[5-(4-methylthiophen-3-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 79807411
3-[5-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 63024100
3-[5-(5-chlorofuran-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 106689512
3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid;3-(5-phenyl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 159299001

Frequently Asked Questions

What is the IUPAC name of 3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid?
The IUPAC name of 3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid (CID 11471260) is 3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid.
What is the SMILES notation for 3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid?
The canonical SMILES for 3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid is O=C(O)c1cccc(-c2noc(-c3cccs3)n2)c1.
What is the InChIKey of 3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid?
The InChIKey is IKNFAOPFEAGWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O3S/c16-13(17)9-4-1-3-8(7-9)11-14-12(18-15-11)10-5-2-6-19-10/h1-7H,(H,16,17).
What are the key properties of 3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid?
3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid has a molecular weight of 272.29 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)benzoic acid is sourced from PubChem (CID 11471260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).