5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

C13H22N4O3 — CID 107436719

IUPAC5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCCOC(CC)(CC)c1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C13H22N4O3/c1-4-13(5-2,19-6-3)12-16-11(20-17-12)9-7-15-10(18)8-14-9/h9,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyAWDLDXXCUYJEPL-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.88
Rot. Bonds6

About 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one

5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 107436719) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID107436719
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCCOC(CC)(CC)c1noc(C2CNC(=O)CN2)n1
InChIInChI=1S/C13H22N4O3/c1-4-13(5-2,19-6-3)12-16-11(20-17-12)9-7-15-10(18)8-14-9/h9,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyAWDLDXXCUYJEPL-UHFFFAOYSA-N
XLogP0.88
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-ethoxypentan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900872
5-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436079
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436173
5-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107435925
3-(3-ethoxypentan-3-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912074
N-ethyl-5-(5-oxopiperazin-2-yl)-1,2,4-oxadiazole-3-carboxamide
CID 107436807
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436810
cis-(1S,3R)-3-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323602
3-(3-ethoxypentan-3-yl)-N-methyl-1,2,4-oxadiazol-5-amine
CID 116778214
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436463
5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436486
5-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436231

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 107436719) is 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is CCOC(CC)(CC)c1noc(C2CNC(=O)CN2)n1.
What is the InChIKey of 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is AWDLDXXCUYJEPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-4-13(5-2,19-6-3)12-16-11(20-17-12)9-7-15-10(18)8-14-9/h9,14H,4-8H2,1-3H3,(H,15,18).
What are the key properties of 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 282.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-ethoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 107436719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).