3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

C13H22N4O2 — CID 65331884

IUPAC3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(C2CCCOC2)no1)N1CCNCC1
InChIInChI=1S/C13H22N4O2/c1-10(17-6-4-14-5-7-17)13-15-12(16-19-13)11-3-2-8-18-9-11/h10-11,14H,2-9H2,1H3
InChIKeySHKLPEWRUQLYOF-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.93
Rot. Bonds3

About 3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole

3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 65331884) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID65331884
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(C2CCCOC2)no1)N1CCNCC1
InChIInChI=1S/C13H22N4O2/c1-10(17-6-4-14-5-7-17)13-15-12(16-19-13)11-3-2-8-18-9-11/h10-11,14H,2-9H2,1H3
InChIKeySHKLPEWRUQLYOF-UHFFFAOYSA-N
XLogP0.93
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 80609640
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 79959615
1,1,1-trifluoro-3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65333737
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
2-methoxy-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109266
(1S)-1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565376
3-cyclopropyl-5-[(1S)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95156803
[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-[(2S)-oxolan-2-yl]methanone
CID 94032209
5-[(1S)-1-(3,5-dimethylpyrazol-1-yl)ethyl]-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 129380278
ethyl 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79474608
5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 51086696
3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropan-1-amine
CID 65332325

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 65331884) is 3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is CC(c1nc(C2CCCOC2)no1)N1CCNCC1.
What is the InChIKey of 3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is SHKLPEWRUQLYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10(17-6-4-14-5-7-17)13-15-12(16-19-13)11-3-2-8-18-9-11/h10-11,14H,2-9H2,1H3.
What are the key properties of 3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 266.34 g/mol, XLogP of 0.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65331884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).