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

C13H20N4O3 — CID 106422027

IUPAC3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CCc2nc(C)no2)C1=O
InChIInChI=1S/C13H20N4O3/c1-4-8(2)12-13(19)17(7-10(18)15-12)6-5-11-14-9(3)16-20-11/h8,12H,4-7H2,1-3H3,(H,15,18)
InChIKeyIIAKZDZKQSHDEU-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.29
Rot. Bonds5

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

3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione (PubChem CID 106422027) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
PubChem CID106422027
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CCc2nc(C)no2)C1=O
InChIInChI=1S/C13H20N4O3/c1-4-8(2)12-13(19)17(7-10(18)15-12)6-5-11-14-9(3)16-20-11/h8,12H,4-7H2,1-3H3,(H,15,18)
InChIKeyIIAKZDZKQSHDEU-UHFFFAOYSA-N
XLogP0.29
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione (CID 106422027) is 3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione is CCC(C)C1NC(=O)CN(CCc2nc(C)no2)C1=O.
What is the InChIKey of 3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
The InChIKey is IIAKZDZKQSHDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-8(2)12-13(19)17(7-10(18)15-12)6-5-11-14-9(3)16-20-11/h8,12H,4-7H2,1-3H3,(H,15,18).
What are the key properties of 3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione?
3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione has a molecular weight of 280.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 106422027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).