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

C17H24ClFN4O2 — CID 120757102

IUPAC3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCCOC(C)c1noc(CN2CCNCC2c2cccc(F)c2)n1.Cl
InChIInChI=1S/C17H23FN4O2.ClH/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;1H
InChIKeyOOBSONNFPASGSH-UHFFFAOYSA-N
MW370.86 g/mol
LogP2.87
Rot. Bonds6

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

3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120757102) has the molecular formula C17H24ClFN4O2 and a molecular weight of 370.86 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120757102
Molecular FormulaC17H24ClFN4O2
Molecular Weight370.86 g/mol
Exact Mass370.16
IUPAC Name3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
SMILESCCOC(C)c1noc(CN2CCNCC2c2cccc(F)c2)n1.Cl
InChIInChI=1S/C17H23FN4O2.ClH/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;1H
InChIKeyOOBSONNFPASGSH-UHFFFAOYSA-N
XLogP2.87
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride with MolForge

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Related Compounds

5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-(1-ethoxyethyl)-1,2,4-oxadiazole
CID 120771222
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 120757172
3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120756741
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 120757064
1-[2-(3-fluorophenyl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 120737020
2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride
CID 120756268
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120756844
2-(3-fluorophenyl)-1-(pyridin-4-ylmethyl)piperazine;hydrochloride
CID 120768605
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 120768704
2-(3-fluorophenyl)-1-[(4-methoxy-6-methyl-2-pyridinyl)methyl]piperazine;hydrochloride
CID 120768485
5-[[2-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 167967944

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride (CID 120757102) is 3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride is CCOC(C)c1noc(CN2CCNCC2c2cccc(F)c2)n1.Cl.
What is the InChIKey of 3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is OOBSONNFPASGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2.ClH/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;1H.
What are the key properties of 3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride?
3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 370.86 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120757102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).