3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione

C13H20N4O3 — CID 106409230

About 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione

3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 106409230) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

• Compound Name: 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
• PubChem CID: 106409230
• Molecular Formula: C13H20N4O3
• Molecular Weight: 280.33 g/mol
• Exact Mass: 280.15
• IUPAC Name: 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
• SMILES: CCC1NC(=O)C(C(C)C)N(Cc2noc(C)n2)C1=O
• InChI: InChI=1S/C13H20N4O3/c1-5-9-13(19)17(6-10-14-8(4)20-16-10)11(7(2)3)12(18)15-9/h7,9,11H,5-6H2,1-4H3,(H,15,18)
• InChIKey: DAZZPOWPOFQOQR-UHFFFAOYSA-N
• XLogP: 0.64
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.33
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?

The IUPAC name of 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 106409230) is 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

What is the SMILES notation for 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?

The canonical SMILES for 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is CCC1NC(=O)C(C(C)C)N(Cc2noc(C)n2)C1=O.

What is the InChIKey of 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?

The InChIKey is DAZZPOWPOFQOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-5-9-13(19)17(6-10-14-8(4)20-16-10)11(7(2)3)12(18)15-9/h7,9,11H,5-6H2,1-4H3,(H,15,18).

What are the key properties of 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione?

3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106409230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).