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

C20H22FN5O3 — CID 67888360

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

5-butan-2-yl-6-fluoro-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (PubChem CID 67888360) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is 5-butan-2-yl-6-fluoro-3-[5-(2-methoxypropan-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-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
• PubChem CID: 67888360
• Molecular Formula: C20H22FN5O3
• Molecular Weight: 399.43 g/mol
• Exact Mass: 399.17
• IUPAC Name: 5-butan-2-yl-6-fluoro-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one
• SMILES: CCC(C)n1c(=O)c2c(-c3noc(C(C)(C)OC)n3)ncn2c2cccc(F)c21
• InChI: InChI=1S/C20H22FN5O3/c1-6-11(2)26-15-12(21)8-7-9-13(15)25-10-22-14(16(25)18(26)27)17-23-19(29-24-17)20(3,4)28-5/h7-11H,6H2,1-5H3
• InChIKey: FTRZOKSWNWXZMB-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 87.45 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.43
LogP ≤ 5	3.69
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-(2-methoxypropan-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-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one (CID 67888360) is 5-butan-2-yl-6-fluoro-3-[5-(2-methoxypropan-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-(2-methoxypropan-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-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is CCC(C)n1c(=O)c2c(-c3noc(C(C)(C)OC)n3)ncn2c2cccc(F)c21.

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

The InChIKey is FTRZOKSWNWXZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-6-11(2)26-15-12(21)8-7-9-13(15)25-10-22-14(16(25)18(26)27)17-23-19(29-24-17)20(3,4)28-5/h7-11H,6H2,1-5H3.

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

5-butan-2-yl-6-fluoro-3-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one has a molecular weight of 399.43 g/mol, XLogP of 3.69, 5 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-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]imidazo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 67888360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).