3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole

C10H10N2O2 — CID 6462339

IUPAC3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C10H10N2O2/c1-7-11-10(12-14-7)8-3-5-9(13-2)6-4-8/h3-6H,1-2H3
InChIKeyJWODWDFQJAPILK-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.05
Rot. Bonds2

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

3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole (PubChem CID 6462339) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
PubChem CID6462339
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C)n2)cc1
InChIInChI=1S/C10H10N2O2/c1-7-11-10(12-14-7)8-3-5-9(13-2)6-4-8/h3-6H,1-2H3
InChIKeyJWODWDFQJAPILK-UHFFFAOYSA-N
XLogP2.05
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methoxyphenyl)-5-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-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole (CID 6462339) is 3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole is COc1ccc(-c2noc(C)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
The InChIKey is JWODWDFQJAPILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-11-10(12-14-7)8-3-5-9(13-2)6-4-8/h3-6H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole has a molecular weight of 190.20 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 6462339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).