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

C24H25ClN2O3 — CID 125013521

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

1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone (PubChem CID 125013521) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone.

Molecular Properties

• Compound Name: 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
• PubChem CID: 125013521
• Molecular Formula: C24H25ClN2O3
• Molecular Weight: 424.93 g/mol
• Exact Mass: 424.16
• IUPAC Name: 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone
• SMILES: COc1cccc(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1
• InChI: InChI=1S/C24H25ClN2O3/c1-29-20-9-4-6-17(12-20)13-23(28)27-11-5-8-19(16-27)24-26-15-21(30-24)14-18-7-2-3-10-22(18)25/h2-4,6-7,9-10,12,15,19H,5,8,11,13-14,16H2,1H3/t19-/m1/s1
• InChIKey: WFVIPKLVTDASJC-LJQANCHMSA-N
• XLogP: 4.88
• TPSA: 55.57 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.93
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone (CID 125013521) is 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone.

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

The canonical SMILES for 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone is COc1cccc(CC(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)c1.

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

The InChIKey is WFVIPKLVTDASJC-LJQANCHMSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-29-20-9-4-6-17(12-20)13-23(28)27-11-5-8-19(16-27)24-26-15-21(30-24)14-18-7-2-3-10-22(18)25/h2-4,6-7,9-10,12,15,19H,5,8,11,13-14,16H2,1H3/t19-/m1/s1.

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

1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone has a molecular weight of 424.93 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(3-methoxyphenyl)ethanone is sourced from PubChem (CID 125013521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).