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

C22H25ClN4O2 — CID 124953644

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

1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone (PubChem CID 124953644) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
• PubChem CID: 124953644
• Molecular Formula: C22H25ClN4O2
• Molecular Weight: 412.92 g/mol
• Exact Mass: 412.17
• IUPAC Name: 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone
• SMILES: CCc1nccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1
• InChI: InChI=1S/C22H25ClN4O2/c1-2-20-24-10-12-26(20)15-21(28)27-11-6-5-9-19(27)22-25-14-17(29-22)13-16-7-3-4-8-18(16)23/h3-4,7-8,10,12,14,19H,2,5-6,9,11,13,15H2,1H3/t19-/m0/s1
• InChIKey: DWOVQMCGTUWQLG-IBGZPJMESA-N
• XLogP: 4.43
• TPSA: 64.16 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.92
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone (CID 124953644) is 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone.

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

The canonical SMILES for 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone is CCc1nccn1CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1.

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

The InChIKey is DWOVQMCGTUWQLG-IBGZPJMESA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-2-20-24-10-12-26(20)15-21(28)27-11-6-5-9-19(27)22-25-14-17(29-22)13-16-7-3-4-8-18(16)23/h3-4,7-8,10,12,14,19H,2,5-6,9,11,13,15H2,1H3/t19-/m0/s1.

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

1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone has a molecular weight of 412.92 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[5-[(2-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-(2-ethylimidazol-1-yl)ethanone is sourced from PubChem (CID 124953644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).