5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

C21H17N3O3 — CID 4034528

IUPAC5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccc(-c4ccccc4)nc3OC)no2)c1
InChIInChI=1S/C21H17N3O3/c1-25-16-10-6-9-15(13-16)20-23-19(24-27-20)17-11-12-18(22-21(17)26-2)14-7-4-3-5-8-14/h3-13H,1-2H3
InChIKeyYPHACUTWPUHVDI-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.48
Rot. Bonds5

About 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole

5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 4034528) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID4034528
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(-c3ccc(-c4ccccc4)nc3OC)no2)c1
InChIInChI=1S/C21H17N3O3/c1-25-16-10-6-9-15(13-16)20-23-19(24-27-20)17-11-12-18(22-21(17)26-2)14-7-4-3-5-8-14/h3-13H,1-2H3
InChIKeyYPHACUTWPUHVDI-UHFFFAOYSA-N
XLogP4.48
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-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 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole (CID 4034528) is 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is COc1cccc(-c2nc(-c3ccc(-c4ccccc4)nc3OC)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is YPHACUTWPUHVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-25-16-10-6-9-15(13-16)20-23-19(24-27-20)17-11-12-18(22-21(17)26-2)14-7-4-3-5-8-14/h3-13H,1-2H3.
What are the key properties of 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole?
5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 359.39 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-(2-methoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 4034528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).