5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole

C16H28N4O — CID 107182956

IUPAC5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(C2CCCC2(C)C)n1)N1CCNCC1
InChIInChI=1S/C16H28N4O/c1-4-13(20-10-8-17-9-11-20)14-18-15(21-19-14)12-6-5-7-16(12,2)3/h12-13,17H,4-11H2,1-3H3
InChIKeyXWXNWNHQVPGNQN-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.72
Rot. Bonds4

About 5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole

5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (PubChem CID 107182956) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
PubChem CID107182956
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(C2CCCC2(C)C)n1)N1CCNCC1
InChIInChI=1S/C16H28N4O/c1-4-13(20-10-8-17-9-11-20)14-18-15(21-19-14)12-6-5-7-16(12,2)3/h12-13,17H,4-11H2,1-3H3
InChIKeyXWXNWNHQVPGNQN-UHFFFAOYSA-N
XLogP2.72
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343286
1-[5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-yl]butan-1-ol
CID 107179971
5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 104632879
5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342976
5-(2-methyloxolan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 79756111
1-[5-(2,2-dimethylcyclohexyl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 107182906
5-(2,2-dimethylcyclopentyl)-1,2,4-oxadiazol-3-amine
CID 107182962
5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342891
3-butan-2-yl-5-(3,3-dimethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114085116
5-(5-chlorothiophen-2-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343104
5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 102802215
4-cyclohexyl-2-(1-piperazin-1-ylpropyl)pyrimidine
CID 63343260

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (CID 107182956) is 5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is CCC(c1noc(C2CCCC2(C)C)n1)N1CCNCC1.
What is the InChIKey of 5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is XWXNWNHQVPGNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-4-13(20-10-8-17-9-11-20)14-18-15(21-19-14)12-6-5-7-16(12,2)3/h12-13,17H,4-11H2,1-3H3.
What are the key properties of 5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 292.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylcyclopentyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 107182956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).