[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

C25H26N4O3 — CID 110119924

About [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone

[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 110119924) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

• Compound Name: [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
• PubChem CID: 110119924
• Molecular Formula: C25H26N4O3
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.20
• IUPAC Name: [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
• SMILES: COc1cccc(Cc2cnc(C3CCCN(C(=O)c4cn5cccc(C)c5n4)C3)o2)c1
• InChI: InChI=1S/C25H26N4O3/c1-17-6-4-10-28-16-22(27-23(17)28)25(30)29-11-5-8-19(15-29)24-26-14-21(32-24)13-18-7-3-9-20(12-18)31-2/h3-4,6-7,9-10,12,14,16,19H,5,8,11,13,15H2,1-2H3
• InChIKey: NXQLRRNRLITBFZ-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 72.87 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?

The IUPAC name of [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 110119924) is [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone.

What is the SMILES notation for [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?

The canonical SMILES for [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is COc1cccc(Cc2cnc(C3CCCN(C(=O)c4cn5cccc(C)c5n4)C3)o2)c1.

What is the InChIKey of [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?

The InChIKey is NXQLRRNRLITBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-17-6-4-10-28-16-22(27-23(17)28)25(30)29-11-5-8-19(15-29)24-26-14-21(32-24)13-18-7-3-9-20(12-18)31-2/h3-4,6-7,9-10,12,14,16,19H,5,8,11,13,15H2,1-2H3.

What are the key properties of [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone?

[3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 430.51 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 110119924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).