1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone

C25H27ClN2O5 — CID 132779987

About 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone

1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone (PubChem CID 132779987) has the molecular formula C25H27ClN2O5 and a molecular weight of 470.95 g/mol. Its IUPAC name is 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone.

Molecular Properties

• Compound Name: 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone
• PubChem CID: 132779987
• Molecular Formula: C25H27ClN2O5
• Molecular Weight: 470.95 g/mol
• Exact Mass: 470.16
• IUPAC Name: 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone
• SMILES: COc1cccc(OC)c1OCC(=O)N1CCCC(c2ncc(Cc3ccc(Cl)cc3)o2)C1
• InChI: InChI=1S/C25H27ClN2O5/c1-30-21-6-3-7-22(31-2)24(21)32-16-23(29)28-12-4-5-18(15-28)25-27-14-20(33-25)13-17-8-10-19(26)11-9-17/h3,6-11,14,18H,4-5,12-13,15-16H2,1-2H3
• InChIKey: AHWDMSLAZGXGAY-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 74.03 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.95
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone?

The IUPAC name of 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone (CID 132779987) is 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone.

What is the SMILES notation for 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone?

The canonical SMILES for 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone is COc1cccc(OC)c1OCC(=O)N1CCCC(c2ncc(Cc3ccc(Cl)cc3)o2)C1.

What is the InChIKey of 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone?

The InChIKey is AHWDMSLAZGXGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O5/c1-30-21-6-3-7-22(31-2)24(21)32-16-23(29)28-12-4-5-18(15-28)25-27-14-20(33-25)13-17-8-10-19(26)11-9-17/h3,6-11,14,18H,4-5,12-13,15-16H2,1-2H3.

What are the key properties of 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone?

1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone has a molecular weight of 470.95 g/mol, XLogP of 4.72, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2,6-dimethoxyphenoxy)ethanone is sourced from PubChem (CID 132779987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).