3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole

C19H20N2O4 — CID 705892

IUPAC3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(COc3cc(C)ccc3C)n2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-12-5-6-13(2)16(9-12)24-11-18-20-19(21-25-18)14-7-8-15(22-3)17(10-14)23-4/h5-10H,11H2,1-4H3
InChIKeyAKLDAWBQHAGXEH-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.95
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole

3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 705892) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID705892
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(COc3cc(C)ccc3C)n2)cc1OC
InChIInChI=1S/C19H20N2O4/c1-12-5-6-13(2)16(9-12)24-11-18-20-19(21-25-18)14-7-8-15(22-3)17(10-14)23-4/h5-10H,11H2,1-4H3
InChIKeyAKLDAWBQHAGXEH-UHFFFAOYSA-N
XLogP3.95
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole (CID 705892) is 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole is COc1ccc(-c2noc(COc3cc(C)ccc3C)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is AKLDAWBQHAGXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-5-6-13(2)16(9-12)24-11-18-20-19(21-25-18)14-7-8-15(22-3)17(10-14)23-4/h5-10H,11H2,1-4H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 340.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-[(2,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 705892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).