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

C20H22ClFN4O — CID 120757172

IUPAC5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1cccc(-c2noc(CN3CCNCC3c3cccc(F)c3)n2)c1.Cl
InChIInChI=1S/C20H21FN4O.ClH/c1-14-4-2-6-16(10-14)20-23-19(26-24-20)13-25-9-8-22-12-18(25)15-5-3-7-17(21)11-15;/h2-7,10-11,18,22H,8-9,12-13H2,1H3;1H
InChIKeyANFPKKTVLWPOPG-UHFFFAOYSA-N
MW388.87 g/mol
LogP3.75
Rot. Bonds4

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

5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 120757172) has the molecular formula C20H22ClFN4O and a molecular weight of 388.87 g/mol. Its IUPAC name is 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID120757172
Molecular FormulaC20H22ClFN4O
Molecular Weight388.87 g/mol
Exact Mass388.15
IUPAC Name5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
SMILESCc1cccc(-c2noc(CN3CCNCC3c3cccc(F)c3)n2)c1.Cl
InChIInChI=1S/C20H21FN4O.ClH/c1-14-4-2-6-16(10-14)20-23-19(26-24-20)13-25-9-8-22-12-18(25)15-5-3-7-17(21)11-15;/h2-7,10-11,18,22H,8-9,12-13H2,1H3;1H
InChIKeyANFPKKTVLWPOPG-UHFFFAOYSA-N
XLogP3.75
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.87
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(3-chlorophenyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 120756741
5-[[2-(3-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120770738
5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120871215
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120754223
3-(1-ethoxyethyl)-5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole;hydrochloride
CID 120757102
4-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole;hydrochloride
CID 120757064
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120756844
5-(1,4-diazepan-1-ylmethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 119906013
2-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3-oxazole;hydrochloride
CID 120756268
5-[(2-pyridin-3-ylpiperazin-1-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120755789
3-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-1,2-oxazole
CID 120756803
2-(3-fluorophenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120768387

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride (CID 120757172) is 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride is Cc1cccc(-c2noc(CN3CCNCC3c3cccc(F)c3)n2)c1.Cl.
What is the InChIKey of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is ANFPKKTVLWPOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O.ClH/c1-14-4-2-6-16(10-14)20-23-19(26-24-20)13-25-9-8-22-12-18(25)15-5-3-7-17(21)11-15;/h2-7,10-11,18,22H,8-9,12-13H2,1H3;1H.
What are the key properties of 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride?
5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 388.87 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(3-fluorophenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120757172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).