2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

C26H25N3O5 — CID 58103300

About 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone

2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (PubChem CID 58103300) has the molecular formula C26H25N3O5 and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

Molecular Properties

• Compound Name: 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
• PubChem CID: 58103300
• Molecular Formula: C26H25N3O5
• Molecular Weight: 459.50 g/mol
• Exact Mass: 459.18
• IUPAC Name: 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(CC(=O)c4nonc4C)c3)n2)cc1OC
• InChI: InChI=1S/C26H25N3O5/c1-17-26(29-34-28-17)22(30)15-19-6-4-7-20(14-19)21-8-5-9-25(27-21)33-13-12-18-10-11-23(31-2)24(16-18)32-3/h4-11,14,16H,12-13,15H2,1-3H3
• InChIKey: AMQLDJDZFGXGIR-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 96.57 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	459.50
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The IUPAC name of 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone (CID 58103300) is 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone.

What is the SMILES notation for 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The canonical SMILES for 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is COc1ccc(CCOc2cccc(-c3cccc(CC(=O)c4nonc4C)c3)n2)cc1OC.

What is the InChIKey of 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

The InChIKey is AMQLDJDZFGXGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O5/c1-17-26(29-34-28-17)22(30)15-19-6-4-7-20(14-19)21-8-5-9-25(27-21)33-13-12-18-10-11-23(31-2)24(16-18)32-3/h4-11,14,16H,12-13,15H2,1-3H3.

What are the key properties of 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone?

2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone has a molecular weight of 459.50 g/mol, XLogP of 4.50, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]-1-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 58103300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).