5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole

C17H28N4O2 — CID 128512606

IUPAC5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCN(C3C=CCCCCC3)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-22-14-16-18-17(23-19-16)13-20-9-11-21(12-10-20)15-7-5-3-2-4-6-8-15/h5,7,15H,2-4,6,8-14H2,1H3
InChIKeyRDYWSWWHIYSLTR-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.22
Rot. Bonds5

About 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole

5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 128512606) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID128512606
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
SMILESCOCc1noc(CN2CCN(C3C=CCCCCC3)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-22-14-16-18-17(23-19-16)13-20-9-11-21(12-10-20)15-7-5-3-2-4-6-8-15/h5,7,15H,2-4,6,8-14H2,1H3
InChIKeyRDYWSWWHIYSLTR-UHFFFAOYSA-N
XLogP2.22
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-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-(methoxymethyl)-5-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 91661796
3-(methoxymethyl)-5-[[4-(piperidin-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120849673
3-(methoxymethyl)-5-[[4-(1H-pyrrol-3-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 99826427
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-[(2R,3R)-2-methyloxan-3-yl]methanone
CID 129401133
[4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 136536784
3-(methoxymethyl)-5-(4,6,7,8-tetrahydro-1H-pyrazolo[4,5-c]azepin-5-ylmethyl)-1,2,4-oxadiazole
CID 154763832
5-[[(3R)-3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 97197370
1-cyclohexyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 68997154
5-[(4Z)-cyclooct-4-en-1-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 167847157
5-[[4-(1H-benzimidazol-2-yl)piperazin-1-yl]methyl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 133455374
3-(methoxymethyl)-5-[[4-[(3-methylpyrrolidin-3-yl)methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120904126
[1-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-6-methylpiperidin-2-yl]methanol
CID 110017032

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole (CID 128512606) is 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole is COCc1noc(CN2CCN(C3C=CCCCCC3)CC2)n1.
What is the InChIKey of 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is RDYWSWWHIYSLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-22-14-16-18-17(23-19-16)13-20-9-11-21(12-10-20)15-7-5-3-2-4-6-8-15/h5,7,15H,2-4,6,8-14H2,1H3.
What are the key properties of 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole?
5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 320.44 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyclooct-2-en-1-ylpiperazin-1-yl)methyl]-3-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 128512606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).