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

C10H8N2O4 — CID 25249929

IUPAC3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCOc1ccc(-c2noc(C(=O)O)n2)cc1
InChIInChI=1S/C10H8N2O4/c1-15-7-4-2-6(3-5-7)8-11-9(10(13)14)16-12-8/h2-5H,1H3,(H,13,14)
InChIKeyPJXDDLKAAJGMPP-UHFFFAOYSA-N
MW220.18 g/mol
LogP1.44
Rot. Bonds3

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

3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid (PubChem CID 25249929) has the molecular formula C10H8N2O4 and a molecular weight of 220.18 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
PubChem CID25249929
Molecular FormulaC10H8N2O4
Molecular Weight220.18 g/mol
Exact Mass220.05
IUPAC Name3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid
SMILESCOc1ccc(-c2noc(C(=O)O)n2)cc1
InChIInChI=1S/C10H8N2O4/c1-15-7-4-2-6(3-5-7)8-11-9(10(13)14)16-12-8/h2-5H,1H3,(H,13,14)
InChIKeyPJXDDLKAAJGMPP-UHFFFAOYSA-N
XLogP1.44
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic 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-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
3-(3,4-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CID 83395279
(1S)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66262874
5-[(Z)-1-chloro-2-(4-methylphenyl)ethenyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 9041756
ethyl 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79474663
N-[2-[(2,6-difluorobenzoyl)amino]ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084206
4-methoxy-3-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoic acid
CID 67718067
N-[2-(furan-2-carbonylamino)ethyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 17084222
N-[1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 17101424
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63344667
3-(1-methylindol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 82378053
3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806099

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid?
The IUPAC name of 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid (CID 25249929) is 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid?
The canonical SMILES for 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid is COc1ccc(-c2noc(C(=O)O)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid?
The InChIKey is PJXDDLKAAJGMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O4/c1-15-7-4-2-6(3-5-7)8-11-9(10(13)14)16-12-8/h2-5H,1H3,(H,13,14).
What are the key properties of 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid?
3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid has a molecular weight of 220.18 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,2,4-oxadiazole-5-carboxylic acid is sourced from PubChem (CID 25249929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).