5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one

C22H26N6O4 — CID 67888939

About 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one

5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67888939) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

• Compound Name: 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
• PubChem CID: 67888939
• Molecular Formula: C22H26N6O4
• Molecular Weight: 438.49 g/mol
• Exact Mass: 438.20
• IUPAC Name: 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
• SMILES: CC(C)(O)c1nc(-c2ncn3c2c(=O)n(CCN2CCCC(O)C2)c2ccccc23)no1
• InChI: InChI=1S/C22H26N6O4/c1-22(2,31)21-24-19(25-32-21)17-18-20(30)27(11-10-26-9-5-6-14(29)12-26)15-7-3-4-8-16(15)28(18)13-23-17/h3-4,7-8,13-14,29,31H,5-6,9-12H2,1-2H3
• InChIKey: VECWLTKAZCVHQZ-UHFFFAOYSA-N
• XLogP: 1.38
• TPSA: 121.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.49
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?

The IUPAC name of 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (CID 67888939) is 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.

What is the SMILES notation for 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?

The canonical SMILES for 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is CC(C)(O)c1nc(-c2ncn3c2c(=O)n(CCN2CCCC(O)C2)c2ccccc23)no1.

What is the InChIKey of 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?

The InChIKey is VECWLTKAZCVHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-22(2,31)21-24-19(25-32-21)17-18-20(30)27(11-10-26-9-5-6-14(29)12-26)15-7-3-4-8-16(15)28(18)13-23-17/h3-4,7-8,13-14,29,31H,5-6,9-12H2,1-2H3.

What are the key properties of 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?

5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 438.49 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(3-hydroxypiperidin-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67888939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).