2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide

C15H27N5O2 — CID 134052866

IUPAC2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(C)c2nc(CC)no2)CC1
InChIInChI=1S/C15H27N5O2/c1-4-6-16-14(21)11-19-7-9-20(10-8-19)12(3)15-17-13(5-2)18-22-15/h12H,4-11H2,1-3H3,(H,16,21)
InChIKeyCOEFIMIYAOSXBR-UHFFFAOYSA-N
MW309.41 g/mol
LogP0.84
Rot. Bonds7

About 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide

2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide (PubChem CID 134052866) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide
PubChem CID134052866
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide
SMILESCCCNC(=O)CN1CCN(C(C)c2nc(CC)no2)CC1
InChIInChI=1S/C15H27N5O2/c1-4-6-16-14(21)11-19-7-9-20(10-8-19)12(3)15-17-13(5-2)18-22-15/h12H,4-11H2,1-3H3,(H,16,21)
InChIKeyCOEFIMIYAOSXBR-UHFFFAOYSA-N
XLogP0.84
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 94799308
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]propanoic acid
CID 119135360
3-ethyl-5-[(1R)-1-[4-(2-methylpropyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95285931
2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 95282589
2-[4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 134018408
5-[(1R)-1-(4-ethylpiperazin-1-yl)ethyl]-3-propyl-1,2,4-oxadiazole
CID 94000629
3-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 95283793
1-(4-benzylpiperazin-1-yl)-2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 86895208
(2S)-2-amino-1-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 119880696
3-propyl-5-[(1S)-1-(4-propylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95285928
1-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methylphenyl)ethanone
CID 94815780
(1S)-2-[4-[(1S)-1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-1-phenylethanol
CID 95315467

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide?
The IUPAC name of 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide (CID 134052866) is 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide.
What is the SMILES notation for 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide?
The canonical SMILES for 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide is CCCNC(=O)CN1CCN(C(C)c2nc(CC)no2)CC1.
What is the InChIKey of 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide?
The InChIKey is COEFIMIYAOSXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2/c1-4-6-16-14(21)11-19-7-9-20(10-8-19)12(3)15-17-13(5-2)18-22-15/h12H,4-11H2,1-3H3,(H,16,21).
What are the key properties of 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide?
2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide has a molecular weight of 309.41 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-N-propylacetamide is sourced from PubChem (CID 134052866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).