5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole

C17H23ClN4O2 — CID 120771222

IUPAC5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(CN2CCNCC2c2cccc(Cl)c2)n1
InChIInChI=1S/C17H23ClN4O2/c1-3-23-12(2)17-20-16(24-21-17)11-22-8-7-19-10-15(22)13-5-4-6-14(18)9-13/h4-6,9,12,15,19H,3,7-8,10-11H2,1-2H3
InChIKeyQKONSLXFCIVKJJ-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.97
Rot. Bonds6

About 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole

5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole (PubChem CID 120771222) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
PubChem CID120771222
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
SMILESCCOC(C)c1noc(CN2CCNCC2c2cccc(Cl)c2)n1
InChIInChI=1S/C17H23ClN4O2/c1-3-23-12(2)17-20-16(24-21-17)11-22-8-7-19-10-15(22)13-5-4-6-14(18)9-13/h4-6,9,12,15,19H,3,7-8,10-11H2,1-2H3
InChIKeyQKONSLXFCIVKJJ-UHFFFAOYSA-N
XLogP2.97
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120757102
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120770738
3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120756741
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 120770952
4-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole;hydrochloride
CID 120780162
2-[2-(3-chlorophenyl)piperazin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 120770819
2-(3-chlorophenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120780214
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 120780059
2-(3-chlorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120780202
2-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-6-methylpyridin-3-ol
CID 120780083
2-(3-chlorophenyl)-1-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120846864
2-(3-chlorophenyl)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperazine
CID 120780185

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole (CID 120771222) is 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole is CCOC(C)c1noc(CN2CCNCC2c2cccc(Cl)c2)n1.
What is the InChIKey of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
The InChIKey is QKONSLXFCIVKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2/c1-3-23-12(2)17-20-16(24-21-17)11-22-8-7-19-10-15(22)13-5-4-6-14(18)9-13/h4-6,9,12,15,19H,3,7-8,10-11H2,1-2H3.
What are the key properties of 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole?
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole has a molecular weight of 350.85 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 120771222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).