1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone

C22H26N4O2 — CID 124951119

About 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone

1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone (PubChem CID 124951119) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
• PubChem CID: 124951119
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
• SMILES: CCc1nccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1
• InChI: InChI=1S/C22H26N4O2/c1-2-20-23-11-13-25(20)16-21(27)26-12-7-6-10-19(26)22-24-15-18(28-22)14-17-8-4-3-5-9-17/h3-5,8-9,11,13,15,19H,2,6-7,10,12,14,16H2,1H3/t19-/m1/s1
• InChIKey: DFXQBLGXTZFFFK-LJQANCHMSA-N
• XLogP: 3.78
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone (CID 124951119) is 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone.

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

The canonical SMILES for 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone is CCc1nccn1CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1.

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

The InChIKey is DFXQBLGXTZFFFK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-20-23-11-13-25(20)16-21(27)26-12-7-6-10-19(26)22-24-15-18(28-22)14-17-8-4-3-5-9-17/h3-5,8-9,11,13,15,19H,2,6-7,10,12,14,16H2,1H3/t19-/m1/s1.

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

1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone has a molecular weight of 378.48 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone is sourced from PubChem (CID 124951119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).