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

C24H25ClN2O3 — CID 110121378

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

1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 110121378) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
• PubChem CID: 110121378
• Molecular Formula: C24H25ClN2O3
• Molecular Weight: 424.93 g/mol
• Exact Mass: 424.16
• IUPAC Name: 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
• SMILES: COc1ccccc1CC(=O)N1CCCCC1c1ncc(Cc2ccccc2Cl)o1
• InChI: InChI=1S/C24H25ClN2O3/c1-29-22-12-5-3-9-18(22)15-23(28)27-13-7-6-11-21(27)24-26-16-19(30-24)14-17-8-2-4-10-20(17)25/h2-5,8-10,12,16,21H,6-7,11,13-15H2,1H3
• InChIKey: HNZRJGZQOXGSOY-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	424.93
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 110121378) is 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone.

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

The canonical SMILES for 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCCCC1c1ncc(Cc2ccccc2Cl)o1.

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

The InChIKey is HNZRJGZQOXGSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-29-22-12-5-3-9-18(22)15-23(28)27-13-7-6-11-21(27)24-26-16-19(30-24)14-17-8-2-4-10-20(17)25/h2-5,8-10,12,16,21H,6-7,11,13-15H2,1H3.

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

1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 424.93 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 110121378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).