5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole

C15H26N4O — CID 63342811

IUPAC5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1noc(CC2CCCC2)n1)N1CCNCC1
InChIInChI=1S/C15H26N4O/c1-15(2,19-9-7-16-8-10-19)14-17-13(20-18-14)11-12-5-3-4-6-12/h12,16H,3-11H2,1-2H3
InChIKeyBXYAZEYYLYRYNC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.94
Rot. Bonds4

About 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole

5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole (PubChem CID 63342811) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
PubChem CID63342811
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(c1noc(CC2CCCC2)n1)N1CCNCC1
InChIInChI=1S/C15H26N4O/c1-15(2,19-9-7-16-8-10-19)14-17-13(20-18-14)11-12-5-3-4-6-12/h12,16H,3-11H2,1-2H3
InChIKeyBXYAZEYYLYRYNC-UHFFFAOYSA-N
XLogP1.94
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-piperazin-1-ylpropan-2-yl)-5-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 63343458
3-(2-piperazin-1-ylpropan-2-yl)-5-propan-2-yl-1,2,4-oxadiazole
CID 63343418
3-(2-ethoxybutan-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 116740597
3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79659293
2-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-1-methoxypropan-2-amine
CID 103166275
5-(cyclohexylmethyl)-3-methyl-1,2,4-oxadiazole
CID 127318368
2-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 114458872
5-(1-methylpyrazol-3-yl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole
CID 103121926
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
3-(2-piperazin-1-ylpropan-2-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 63343116
5-(cycloheptylmethyl)-3-iodo-1,2,4-oxadiazole
CID 114458862
5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-amine
CID 114458859

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole (CID 63342811) is 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole is CC(C)(c1noc(CC2CCCC2)n1)N1CCNCC1.
What is the InChIKey of 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is BXYAZEYYLYRYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-15(2,19-9-7-16-8-10-19)14-17-13(20-18-14)11-12-5-3-4-6-12/h12,16H,3-11H2,1-2H3.
What are the key properties of 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole?
5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 278.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-3-(2-piperazin-1-ylpropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).