3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride

C17H22ClF3N4O — CID 120960732

IUPAC3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride
SMILESCCC(c1cccc(C(F)(F)F)c1)c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C17H21F3N4O.ClH/c1-3-13(11-5-4-6-12(9-11)17(18,19)20)16-22-15(23-25-16)14-10-21-7-8-24(14)2;/h4-6,9,13-14,21H,3,7-8,10H2,1-2H3;1H
InChIKeyQMYJRKUBUCYLBN-UHFFFAOYSA-N
MW390.84 g/mol
LogP3.63
Rot. Bonds4

About 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride

3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120960732) has the molecular formula C17H22ClF3N4O and a molecular weight of 390.84 g/mol. Its IUPAC name is 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120960732
Molecular FormulaC17H22ClF3N4O
Molecular Weight390.84 g/mol
Exact Mass390.14
IUPAC Name3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride
SMILESCCC(c1cccc(C(F)(F)F)c1)c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C17H21F3N4O.ClH/c1-3-13(11-5-4-6-12(9-11)17(18,19)20)16-22-15(23-25-16)14-10-21-7-8-24(14)2;/h4-6,9,13-14,21H,3,7-8,10H2,1-2H3;1H
InChIKeyQMYJRKUBUCYLBN-UHFFFAOYSA-N
XLogP3.63
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.84
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride 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-(1-methylpiperazin-2-yl)-5-[2-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole
CID 120956938
5-[1-(3-fluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961479
5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958661
5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120961508
5-[1-(3-tert-butylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956420
2,2,2-trifluoro-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1-phenylethanamine;hydrochloride
CID 120957011
3-methyl-N-[[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethyl]butanamide;hydrochloride
CID 120956333
3-(1-methylpiperazin-2-yl)-5-[1-(2-propan-2-ylphenoxy)propyl]-1,2,4-oxadiazole;hydrochloride
CID 120959938
5-(3-butan-2-yl-1,2-oxazol-5-yl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960773
3-(1-methylpiperazin-2-yl)-5-[3-[5-(trifluoromethyl)pyrazol-1-yl]phenyl]-1,2,4-oxadiazole;hydrochloride
CID 120957809

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride (CID 120960732) is 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride is CCC(c1cccc(C(F)(F)F)c1)c1nc(C2CNCCN2C)no1.Cl.
What is the InChIKey of 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is QMYJRKUBUCYLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O.ClH/c1-3-13(11-5-4-6-12(9-11)17(18,19)20)16-22-15(23-25-16)14-10-21-7-8-24(14)2;/h4-6,9,13-14,21H,3,7-8,10H2,1-2H3;1H.
What are the key properties of 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride?
3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 390.84 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120960732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).