2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C25H28N2O5 — CID 110119432

About 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 110119432) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110119432
• Molecular Formula: C25H28N2O5
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.20
• IUPAC Name: 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• SMILES: COc1ccc(OCC(=O)N2CCCC(c3ncc(Cc4cccc(OC)c4)o3)C2)cc1
• InChI: InChI=1S/C25H28N2O5/c1-29-20-8-10-21(11-9-20)31-17-24(28)27-12-4-6-19(16-27)25-26-15-23(32-25)14-18-5-3-7-22(13-18)30-2/h3,5,7-11,13,15,19H,4,6,12,14,16-17H2,1-2H3
• InChIKey: SHNIZTNGHVSWJJ-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 74.03 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The IUPAC name of 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 110119432) is 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is COc1ccc(OCC(=O)N2CCCC(c3ncc(Cc4cccc(OC)c4)o3)C2)cc1.

What is the InChIKey of 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

The InChIKey is SHNIZTNGHVSWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-29-20-8-10-21(11-9-20)31-17-24(28)27-12-4-6-19(16-27)25-26-15-23(32-25)14-18-5-3-7-22(13-18)30-2/h3,5,7-11,13,15,19H,4,6,12,14,16-17H2,1-2H3.

What are the key properties of 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone?

2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 436.51 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxyphenoxy)-1-[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110119432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).