4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid

C14H10N2O4S — CID 81119621

IUPAC4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESCOc1ccsc1-c1nc(-c2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C14H10N2O4S/c1-19-10-6-7-21-11(10)13-15-12(16-20-13)8-2-4-9(5-3-8)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyCCTKIQZDQRRQSS-UHFFFAOYSA-N
MW302.31 g/mol
LogP3.17
Rot. Bonds4

About 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid

4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid (PubChem CID 81119621) has the molecular formula C14H10N2O4S and a molecular weight of 302.31 g/mol. Its IUPAC name is 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid.

Molecular Properties

Compound Name4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
PubChem CID81119621
Molecular FormulaC14H10N2O4S
Molecular Weight302.31 g/mol
Exact Mass302.04
IUPAC Name4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
SMILESCOc1ccsc1-c1nc(-c2ccc(C(=O)O)cc2)no1
InChIInChI=1S/C14H10N2O4S/c1-19-10-6-7-21-11(10)13-15-12(16-20-13)8-2-4-9(5-3-8)14(17)18/h2-7H,1H3,(H,17,18)
InChIKeyCCTKIQZDQRRQSS-UHFFFAOYSA-N
XLogP3.17
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 81119623
4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 80641650
4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 24747339
methyl 4-[5-(3-chlorothiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoate
CID 22147847
4-methoxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 54391138
4-tert-butyl-2-(3-methoxythiophen-2-yl)-1,3-oxazole-5-carboxylic acid
CID 114372915
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 25249929
3-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 11483040
1-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 81125130
2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 81122968
3-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid
CID 79975059
4-[2-methoxy-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzoic acid
CID 169094894

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The IUPAC name of 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid (CID 81119621) is 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid.
What is the SMILES notation for 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The canonical SMILES for 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid is COc1ccsc1-c1nc(-c2ccc(C(=O)O)cc2)no1.
What is the InChIKey of 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid?
The InChIKey is CCTKIQZDQRRQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4S/c1-19-10-6-7-21-11(10)13-15-12(16-20-13)8-2-4-9(5-3-8)14(17)18/h2-7H,1H3,(H,17,18).
What are the key properties of 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid?
4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid has a molecular weight of 302.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-methoxythiophen-2-yl)-1,2,4-oxadiazol-3-yl]benzoic acid is sourced from PubChem (CID 81119621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).