5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one

C22H21N5O3 — CID 72925631

About 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one

5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one (PubChem CID 72925631) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one.

Molecular Properties

• Compound Name: 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
• PubChem CID: 72925631
• Molecular Formula: C22H21N5O3
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.16
• IUPAC Name: 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one
• SMILES: COc1cccc(CN2CC(c3nc(-c4cn5ccccc5n4)no3)CCC2=O)c1
• InChI: InChI=1S/C22H21N5O3/c1-29-17-6-4-5-15(11-17)12-27-13-16(8-9-20(27)28)22-24-21(25-30-22)18-14-26-10-3-2-7-19(26)23-18/h2-7,10-11,14,16H,8-9,12-13H2,1H3
• InChIKey: XFXIRIUZZGXOGS-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 85.76 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?

The IUPAC name of 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one (CID 72925631) is 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one.

What is the SMILES notation for 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?

The canonical SMILES for 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one is COc1cccc(CN2CC(c3nc(-c4cn5ccccc5n4)no3)CCC2=O)c1.

What is the InChIKey of 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?

The InChIKey is XFXIRIUZZGXOGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-29-17-6-4-5-15(11-17)12-27-13-16(8-9-20(27)28)22-24-21(25-30-22)18-14-26-10-3-2-7-19(26)23-18/h2-7,10-11,14,16H,8-9,12-13H2,1H3.

What are the key properties of 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one?

5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one has a molecular weight of 403.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-imidazo[1,2-a]pyridin-2-yl-1,2,4-oxadiazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidin-2-one is sourced from PubChem (CID 72925631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).