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

C12H19N5O3 — CID 107436463

IUPAC5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCCN1CCOC(c2noc(C3CNC(=O)CN3)n2)C1
InChIInChI=1S/C12H19N5O3/c1-2-17-3-4-19-9(7-17)11-15-12(20-16-11)8-5-14-10(18)6-13-8/h8-9,13H,2-7H2,1H3,(H,14,18)
InChIKeyLGWOAPKHCCNIAT-UHFFFAOYSA-N
MW281.32 g/mol
LogP-0.78
Rot. Bonds3

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

5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (PubChem CID 107436463) has the molecular formula C12H19N5O3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.

Molecular Properties

Compound Name5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
PubChem CID107436463
Molecular FormulaC12H19N5O3
Molecular Weight281.32 g/mol
Exact Mass281.15
IUPAC Name5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
SMILESCCN1CCOC(c2noc(C3CNC(=O)CN3)n2)C1
InChIInChI=1S/C12H19N5O3/c1-2-17-3-4-19-9(7-17)11-15-12(20-16-11)8-5-14-10(18)6-13-8/h8-9,13H,2-7H2,1H3,(H,14,18)
InChIKeyLGWOAPKHCCNIAT-UHFFFAOYSA-N
XLogP-0.78
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812856
5-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436486
4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 79666239
2-[5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]-4-ethylmorpholine
CID 102894735
2-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 79666401
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pentanoic acid
CID 79666825
5-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436173
4-ethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79665077
2-(4,6-dichloropyrimidin-2-yl)-4-ethylmorpholine
CID 79666573
[4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324970
[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 79663048

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The IUPAC name of 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one (CID 107436463) is 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one.
What is the SMILES notation for 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The canonical SMILES for 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is CCN1CCOC(c2noc(C3CNC(=O)CN3)n2)C1.
What is the InChIKey of 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
The InChIKey is LGWOAPKHCCNIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O3/c1-2-17-3-4-19-9(7-17)11-15-12(20-16-11)8-5-14-10(18)6-13-8/h8-9,13H,2-7H2,1H3,(H,14,18).
What are the key properties of 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one?
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one has a molecular weight of 281.32 g/mol, XLogP of -0.78, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one is sourced from PubChem (CID 107436463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).