3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione

C14H21N3O3 — CID 64968277

About 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione

3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 64968277) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

• Compound Name: 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
• PubChem CID: 64968277
• Molecular Formula: C14H21N3O3
• Molecular Weight: 279.34 g/mol
• Exact Mass: 279.16
• IUPAC Name: 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione
• SMILES: CCC1(CC)NC(=O)C(C)N(Cc2cc(C)no2)C1=O
• InChI: InChI=1S/C14H21N3O3/c1-5-14(6-2)13(19)17(10(4)12(18)15-14)8-11-7-9(3)16-20-11/h7,10H,5-6,8H2,1-4H3,(H,15,18)
• InChIKey: LHANCMZMTBFEAU-UHFFFAOYSA-N
• XLogP: 1.39
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.34
LogP ≤ 5	1.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?

The IUPAC name of 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione (CID 64968277) is 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione.

What is the SMILES notation for 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?

The canonical SMILES for 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione is CCC1(CC)NC(=O)C(C)N(Cc2cc(C)no2)C1=O.

What is the InChIKey of 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?

The InChIKey is LHANCMZMTBFEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-5-14(6-2)13(19)17(10(4)12(18)15-14)8-11-7-9(3)16-20-11/h7,10H,5-6,8H2,1-4H3,(H,15,18).

What are the key properties of 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione?

3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione has a molecular weight of 279.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-diethyl-6-methyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64968277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).