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

C18H18N2O5 — CID 883856

IUPAC3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1
InChIInChI=1S/C18H18N2O5/c1-21-13-5-7-14(8-6-13)24-11-17-19-18(20-25-17)12-4-9-15(22-2)16(10-12)23-3/h4-10H,11H2,1-3H3
InChIKeyPBNWGFHTIINNGR-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.34
Rot. Bonds7

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

3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 883856) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID883856
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(OCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1
InChIInChI=1S/C18H18N2O5/c1-21-13-5-7-14(8-6-13)24-11-17-19-18(20-25-17)12-4-9-15(22-2)16(10-12)23-3/h4-10H,11H2,1-3H3
InChIKeyPBNWGFHTIINNGR-UHFFFAOYSA-N
XLogP3.34
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)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

Related Compounds

Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
CID 4912763
3-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 1508946
3-(3,4-Dimethoxy-phenyl)-5-phenylsulfanylmethyl-[1,2,4]oxadiazole
CID 654225
5-(Benzo[1,3]dioxol-5-yloxymethyl)-3-phenyl-[1,2,4]oxadiazole
CID 654925
5-(((1-Bromonaphthalen-2-yl)oxy)methyl)-3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 666230
3-[3-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 666760
3-[3-(3,4-Diethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 667125
5-(Benzo[1,3]dioxol-5-yloxymethyl)-3-p-tolyl-[1,2,4]oxadiazole
CID 672375
5-[(2-Methylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 705847
5-[(2-Methoxyphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 753471
5-[(2,4-Dimethylphenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 876417
5-[(2,3-Dimethylphenoxy)methyl]-3-(2-methoxybenzyl)-1,2,4-oxadiazole
CID 888314

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole (CID 883856) is 3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole is COc1ccc(OCc2nc(-c3ccc(OC)c(OC)c3)no2)cc1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is PBNWGFHTIINNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-21-13-5-7-14(8-6-13)24-11-17-19-18(20-25-17)12-4-9-15(22-2)16(10-12)23-3/h4-10H,11H2,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 342.35 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 883856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).