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

C20H20N6O2 — CID 53065362

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

1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one (PubChem CID 53065362) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one.

Molecular Properties

• Compound Name: 1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
• PubChem CID: 53065362
• Molecular Formula: C20H20N6O2
• Molecular Weight: 376.42 g/mol
• Exact Mass: 376.16
• IUPAC Name: 1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one
• SMILES: Cc1nc2cc(-c3noc(-c4ccnn4C)n3)ccc2n(C2CCCC2)c1=O
• InChI: InChI=1S/C20H20N6O2/c1-12-20(27)26(14-5-3-4-6-14)16-8-7-13(11-15(16)22-12)18-23-19(28-24-18)17-9-10-21-25(17)2/h7-11,14H,3-6H2,1-2H3
• InChIKey: FCTXQFMKNUVJSC-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 91.63 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.42
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one (CID 53065362) is 1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one.

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

The canonical SMILES for 1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one is Cc1nc2cc(-c3noc(-c4ccnn4C)n3)ccc2n(C2CCCC2)c1=O.

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

The InChIKey is FCTXQFMKNUVJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-12-20(27)26(14-5-3-4-6-14)16-8-7-13(11-15(16)22-12)18-23-19(28-24-18)17-9-10-21-25(17)2/h7-11,14H,3-6H2,1-2H3.

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

1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one has a molecular weight of 376.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopentyl-3-methyl-6-[5-(2-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]quinoxalin-2-one is sourced from PubChem (CID 53065362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).