2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

C21H24N4O3 — CID 110119404

About 2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone

2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (PubChem CID 110119404) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• PubChem CID: 110119404
• Molecular Formula: C21H24N4O3
• Molecular Weight: 380.45 g/mol
• Exact Mass: 380.18
• IUPAC Name: 2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone
• SMILES: COc1ccc(Cc2cnc(C3CCCN(C(=O)Cn4ccnc4)C3)o2)cc1
• InChI: InChI=1S/C21H24N4O3/c1-27-18-6-4-16(5-7-18)11-19-12-23-21(28-19)17-3-2-9-25(13-17)20(26)14-24-10-8-22-15-24/h4-8,10,12,15,17H,2-3,9,11,13-14H2,1H3
• InChIKey: WMCRTKGHNNKZRZ-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 73.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.45
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone (CID 110119404) is 2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is COc1ccc(Cc2cnc(C3CCCN(C(=O)Cn4ccnc4)C3)o2)cc1.

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

The InChIKey is WMCRTKGHNNKZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-18-6-4-16(5-7-18)11-19-12-23-21(28-19)17-3-2-9-25(13-17)20(26)14-24-10-8-22-15-24/h4-8,10,12,15,17H,2-3,9,11,13-14H2,1H3.

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

2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone has a molecular weight of 380.45 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-imidazol-1-yl-1-[3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110119404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).