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

C11H10N2O4 — CID 63382902

IUPAC5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCCOc1ccc(-c2nc(C(=O)O)no2)cc1
InChIInChI=1S/C11H10N2O4/c1-2-16-8-5-3-7(4-6-8)10-12-9(11(14)15)13-17-10/h3-6H,2H2,1H3,(H,14,15)
InChIKeyZHMACJWGPDIWOO-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.83
Rot. Bonds4

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

5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 63382902) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID63382902
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCCOc1ccc(-c2nc(C(=O)O)no2)cc1
InChIInChI=1S/C11H10N2O4/c1-2-16-8-5-3-7(4-6-8)10-12-9(11(14)15)13-17-10/h3-6H,2H2,1H3,(H,14,15)
InChIKeyZHMACJWGPDIWOO-UHFFFAOYSA-N
XLogP1.83
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-butoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63448625
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-phenoxyacetamide
CID 39867782
N-[4-[4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]phenyl]acetamide
CID 53103323
2-[3-(4-ethoxyphenyl)-1,2-oxazol-5-yl]acetic acid
CID 82295661
5-(3-bromo-4-iodophenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 165484636
2-(3,5-dimethylphenoxy)-N-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 39868087
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383042
ethyl 5-pyridin-4-yl-1,2,4-oxadiazole-3-carboxylate
CID 19959194
2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]acetic acid
CID 23010469

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 63382902) is 5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid is CCOc1ccc(-c2nc(C(=O)O)no2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is ZHMACJWGPDIWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-2-16-8-5-3-7(4-6-8)10-12-9(11(14)15)13-17-10/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 63382902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).