5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one

C20H20FN5O3 — CID 57129804

About 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one

5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 57129804) has the molecular formula C20H20FN5O3 and a molecular weight of 397.41 g/mol. Its IUPAC name is 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.

Molecular Properties

• Compound Name: 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
• PubChem CID: 57129804
• Molecular Formula: C20H20FN5O3
• Molecular Weight: 397.41 g/mol
• Exact Mass: 397.16
• IUPAC Name: 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
• SMILES: CCC(C)n1c(=O)c2c(-c3noc(C4CCCO4)n3)ncn2c2cccc(F)c21
• InChI: InChI=1S/C20H20FN5O3/c1-3-11(2)26-16-12(21)6-4-7-13(16)25-10-22-15(17(25)20(26)27)18-23-19(29-24-18)14-8-5-9-28-14/h4,6-7,10-11,14H,3,5,8-9H2,1-2H3
• InChIKey: POJVOPMMSQYCCD-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 87.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	397.41
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?

The IUPAC name of 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (CID 57129804) is 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one.

What is the SMILES notation for 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?

The canonical SMILES for 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is CCC(C)n1c(=O)c2c(-c3noc(C4CCCO4)n3)ncn2c2cccc(F)c21.

What is the InChIKey of 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?

The InChIKey is POJVOPMMSQYCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3/c1-3-11(2)26-16-12(21)6-4-7-13(16)25-10-22-15(17(25)20(26)27)18-23-19(29-24-18)14-8-5-9-28-14/h4,6-7,10-11,14H,3,5,8-9H2,1-2H3.

What are the key properties of 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one?

5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 397.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butan-2-yl-6-fluoro-3-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 57129804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).