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

C11H16N4O3 — CID 64967646

IUPAC3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(Cc2nc(C)no2)C1=O
InChIInChI=1S/C11H16N4O3/c1-4-8-11(17)15(6(2)10(16)13-8)5-9-12-7(3)14-18-9/h6,8H,4-5H2,1-3H3,(H,13,16)
InChIKeyNSNCELQHOSEQDN-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.00
Rot. Bonds3

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

3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione (PubChem CID 64967646) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione
PubChem CID64967646
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione
SMILESCCC1NC(=O)C(C)N(Cc2nc(C)no2)C1=O
InChIInChI=1S/C11H16N4O3/c1-4-8-11(17)15(6(2)10(16)13-8)5-9-12-7(3)14-18-9/h6,8H,4-5H2,1-3H3,(H,13,16)
InChIKeyNSNCELQHOSEQDN-UHFFFAOYSA-N
XLogP0.00
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione?
The IUPAC name of 3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione (CID 64967646) is 3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione.
What is the SMILES notation for 3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione?
The canonical SMILES for 3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione is CCC1NC(=O)C(C)N(Cc2nc(C)no2)C1=O.
What is the InChIKey of 3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione?
The InChIKey is NSNCELQHOSEQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-4-8-11(17)15(6(2)10(16)13-8)5-9-12-7(3)14-18-9/h6,8H,4-5H2,1-3H3,(H,13,16).
What are the key properties of 3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione?
3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione has a molecular weight of 252.27 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-2,5-dione is sourced from PubChem (CID 64967646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).