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

C25H30N4O3 — CID 110120892

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

1-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (PubChem CID 110120892) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 1-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
• PubChem CID: 110120892
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: 1-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
• SMILES: COc1cccc(Cc2cnc(C3CCCCN3C(=O)CN(C)Cc3ccccn3)o2)c1
• InChI: InChI=1S/C25H30N4O3/c1-28(17-20-9-3-5-12-26-20)18-24(30)29-13-6-4-11-23(29)25-27-16-22(32-25)15-19-8-7-10-21(14-19)31-2/h3,5,7-10,12,14,16,23H,4,6,11,13,15,17-18H2,1-2H3
• InChIKey: UJQXJGDXVHOOQE-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 71.70 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone (CID 110120892) is 1-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone.

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

The canonical SMILES for 1-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is COc1cccc(Cc2cnc(C3CCCCN3C(=O)CN(C)Cc3ccccn3)o2)c1.

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

The InChIKey is UJQXJGDXVHOOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-28(17-20-9-3-5-12-26-20)18-24(30)29-13-6-4-11-23(29)25-27-16-22(32-25)15-19-8-7-10-21(14-19)31-2/h3,5,7-10,12,14,16,23H,4,6,11,13,15,17-18H2,1-2H3.

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

1-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone has a molecular weight of 434.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 110120892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).