1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one

C24H24N4O3 — CID 53065353

About 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one

1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one (PubChem CID 53065353) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
• PubChem CID: 53065353
• Molecular Formula: C24H24N4O3
• Molecular Weight: 416.48 g/mol
• Exact Mass: 416.18
• IUPAC Name: 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
• SMILES: Cc1cccc(OCc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)c1
• InChI: InChI=1S/C24H24N4O3/c1-15-6-5-9-19(12-15)30-14-22-26-23(27-31-22)17-10-11-21-20(13-17)25-16(2)24(29)28(21)18-7-3-4-8-18/h5-6,9-13,18H,3-4,7-8,14H2,1-2H3
• InChIKey: ULCTUVQNIKYHNG-UHFFFAOYSA-N
• XLogP: 4.76
• TPSA: 83.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.48
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?

The IUPAC name of 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one (CID 53065353) is 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one.

What is the SMILES notation for 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?

The canonical SMILES for 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one is Cc1cccc(OCc2nc(-c3ccc4c(c3)nc(C)c(=O)n4C3CCCC3)no2)c1.

What is the InChIKey of 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?

The InChIKey is ULCTUVQNIKYHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-6-5-9-19(12-15)30-14-22-26-23(27-31-22)17-10-11-21-20(13-17)25-16(2)24(29)28(21)18-7-3-4-8-18/h5-6,9-13,18H,3-4,7-8,14H2,1-2H3.

What are the key properties of 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one?

1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one has a molecular weight of 416.48 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-methyl-6-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]quinoxalin-2-one is sourced from PubChem (CID 53065353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).