2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C26H30N2O6 — CID 132779828

About 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 132779828) has the molecular formula C26H30N2O6 and a molecular weight of 466.53 g/mol. Its IUPAC name is 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 132779828
• Molecular Formula: C26H30N2O6
• Molecular Weight: 466.53 g/mol
• Exact Mass: 466.21
• IUPAC Name: 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• SMILES: COc1cccc(Cc2cnc(C3CCCN(C(=O)COc4c(OC)cccc4OC)C3)o2)c1
• InChI: InChI=1S/C26H30N2O6/c1-30-20-9-4-7-18(13-20)14-21-15-27-26(34-21)19-8-6-12-28(16-19)24(29)17-33-25-22(31-2)10-5-11-23(25)32-3/h4-5,7,9-11,13,15,19H,6,8,12,14,16-17H2,1-3H3
• InChIKey: ACRSLWVHVCMQAL-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 83.26 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.53
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 132779828) is 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is COc1cccc(Cc2cnc(C3CCCN(C(=O)COc4c(OC)cccc4OC)C3)o2)c1.

What is the InChIKey of 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is ACRSLWVHVCMQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O6/c1-30-20-9-4-7-18(13-20)14-21-15-27-26(34-21)19-8-6-12-28(16-19)24(29)17-33-25-22(31-2)10-5-11-23(25)32-3/h4-5,7,9-11,13,15,19H,6,8,12,14,16-17H2,1-3H3.

What are the key properties of 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 466.53 g/mol, XLogP of 4.08, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dimethoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 132779828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).