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

C12H18N4O3 — CID 106409247

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

3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 106409247) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

• Compound Name: 3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
• PubChem CID: 106409247
• Molecular Formula: C12H18N4O3
• Molecular Weight: 266.30 g/mol
• Exact Mass: 266.14
• IUPAC Name: 3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione
• SMILES: Cc1nc(CN2C(=O)C(C)NC(=O)C2C(C)C)no1
• InChI: InChI=1S/C12H18N4O3/c1-6(2)10-11(17)13-7(3)12(18)16(10)5-9-14-8(4)19-15-9/h6-7,10H,5H2,1-4H3,(H,13,17)
• InChIKey: QTHLIRKPDXXTSZ-UHFFFAOYSA-N
• XLogP: 0.25
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.30
LogP ≤ 5	0.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione (CID 106409247) is 3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione.

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

The canonical SMILES for 3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is Cc1nc(CN2C(=O)C(C)NC(=O)C2C(C)C)no1.

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

The InChIKey is QTHLIRKPDXXTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-6(2)10-11(17)13-7(3)12(18)16(10)5-9-14-8(4)19-15-9/h6-7,10H,5H2,1-4H3,(H,13,17).

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

3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106409247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).