1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C18H20N6O4 — CID 90491259

About 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 90491259) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
• PubChem CID: 90491259
• Molecular Formula: C18H20N6O4
• Molecular Weight: 384.40 g/mol
• Exact Mass: 384.15
• IUPAC Name: 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
• SMILES: Cc1nc(-c2ccc(N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)nc2)no1
• InChI: InChI=1S/C18H20N6O4/c1-12-20-18(21-28-12)13-2-3-14(19-10-13)22-6-8-23(9-7-22)17(27)11-24-15(25)4-5-16(24)26/h2-3,10H,4-9,11H2,1H3
• InChIKey: HUEMMVWKEWTWEQ-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 112.74 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.40
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 90491259) is 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is Cc1nc(-c2ccc(N3CCN(C(=O)CN4C(=O)CCC4=O)CC3)nc2)no1.

What is the InChIKey of 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The InChIKey is HUEMMVWKEWTWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-12-20-18(21-28-12)13-2-3-14(19-10-13)22-6-8-23(9-7-22)17(27)11-24-15(25)4-5-16(24)26/h2-3,10H,4-9,11H2,1H3.

What are the key properties of 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 384.40 g/mol, XLogP of 0.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 90491259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).