3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

C13H12N4O4 — CID 75527886

IUPAC3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3nc(C)no3)n2)c(OC)c1
InChIInChI=1S/C13H12N4O4/c1-7-14-12(20-16-7)13-15-11(17-21-13)9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3
InChIKeyTWEPPCMETIAONS-UHFFFAOYSA-N
MW288.26 g/mol
LogP2.11
Rot. Bonds4

About 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 75527886) has the molecular formula C13H12N4O4 and a molecular weight of 288.26 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
PubChem CID75527886
Molecular FormulaC13H12N4O4
Molecular Weight288.26 g/mol
Exact Mass288.09
IUPAC Name3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3nc(C)no3)n2)c(OC)c1
InChIInChI=1S/C13H12N4O4/c1-7-14-12(20-16-7)13-15-11(17-21-13)9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3
InChIKeyTWEPPCMETIAONS-UHFFFAOYSA-N
XLogP2.11
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole 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

4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,6-dimethylpyrimidin-2-amine
CID 167850970
5-but-2-en-2-yl-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 91941431
3-(2,4-dimethoxyphenyl)-5-[(1S)-1-methoxyethyl]-1,2,4-oxadiazole
CID 95333703
4-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N,N-diethyl-6-methylpyridin-2-amine
CID 68579557
3-(2,4-dimethoxyphenyl)-5-(2-methoxyquinolin-4-yl)-1,2,4-oxadiazole
CID 166253902
5-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-amine
CID 63691181
3-(2,4-dimethoxyphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 51202891
3-(2,4-dimethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 9355901
3-(4-methoxyphenyl)-5-(2,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
CID 912387
5-(2,4-dimethoxyphenyl)-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112506
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpropan-1-amine
CID 78822364
5-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 9041435

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (CID 75527886) is 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3nc(C)no3)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is TWEPPCMETIAONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O4/c1-7-14-12(20-16-7)13-15-11(17-21-13)9-5-4-8(18-2)6-10(9)19-3/h4-6H,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 288.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75527886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).