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

C16H28N4O — CID 80609640

IUPAC3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(C2CCCCCCC2)no1)N1CCNCC1
InChIInChI=1S/C16H28N4O/c1-13(20-11-9-17-10-12-20)16-18-15(19-21-16)14-7-5-3-2-4-6-8-14/h13-14,17H,2-12H2,1H3
InChIKeyDLJIDHGRJSJMDA-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.86
Rot. Bonds3

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

3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (PubChem CID 80609640) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
PubChem CID80609640
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
SMILESCC(c1nc(C2CCCCCCC2)no1)N1CCNCC1
InChIInChI=1S/C16H28N4O/c1-13(20-11-9-17-10-12-20)16-18-15(19-21-16)14-7-5-3-2-4-6-8-14/h13-14,17H,2-12H2,1H3
InChIKeyDLJIDHGRJSJMDA-UHFFFAOYSA-N
XLogP2.86
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-cyclooctyl-5-(1-piperazin-1-ylethyl)-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-(oxan-3-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 65331884
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 79959615
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
5-[1-[4-(azepan-1-ylmethyl)piperidin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 51086696
cyclopentyl-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 94394067
5-[1-(azetidin-3-yl)ethyl]-3-cyclooctyl-1,2,4-oxadiazole
CID 116682608
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-4-carboxamide
CID 94189858
5-[1-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 60501468
3-cyclopropyl-5-[1-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053059
3-cyclopropyl-5-[(1S)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95156803
3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98763222

Frequently Asked Questions

What is the IUPAC name of 3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole (CID 80609640) is 3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is CC(c1nc(C2CCCCCCC2)no1)N1CCNCC1.
What is the InChIKey of 3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
The InChIKey is DLJIDHGRJSJMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-13(20-11-9-17-10-12-20)16-18-15(19-21-16)14-7-5-3-2-4-6-8-14/h13-14,17H,2-12H2,1H3.
What are the key properties of 3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole?
3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole has a molecular weight of 292.43 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-5-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 80609640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).