1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

C16H23Cl2N5O — CID 120961508

IUPAC1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCN(C)C(c1cccc(Cl)c1)c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C16H22ClN5O.ClH/c1-21(2)14(11-5-4-6-12(17)9-11)16-19-15(20-23-16)13-10-18-7-8-22(13)3;/h4-6,9,13-14,18H,7-8,10H2,1-3H3;1H
InChIKeyXLCRTIBNXHRWJU-UHFFFAOYSA-N
MW372.30 g/mol
LogP2.37
Rot. Bonds4

About 1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride

1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (PubChem CID 120961508) has the molecular formula C16H23Cl2N5O and a molecular weight of 372.30 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
PubChem CID120961508
Molecular FormulaC16H23Cl2N5O
Molecular Weight372.30 g/mol
Exact Mass371.13
IUPAC Name1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
SMILESCN(C)C(c1cccc(Cl)c1)c1nc(C2CNCCN2C)no1.Cl
InChIInChI=1S/C16H22ClN5O.ClH/c1-21(2)14(11-5-4-6-12(17)9-11)16-19-15(20-23-16)13-10-18-7-8-22(13)3;/h4-6,9,13-14,18H,7-8,10H2,1-3H3;1H
InChIKeyXLCRTIBNXHRWJU-UHFFFAOYSA-N
XLogP2.37
TPSA57.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(3-methylphenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958508
5-[1-(3-fluorophenyl)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120961479
5-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959246
3-(1-methylpiperazin-2-yl)-5-(1-pyridin-3-ylethyl)-1,2,4-oxadiazole;hydrochloride
CID 120957055
5-[1-(3-chlorophenyl)cyclopropyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956834
3-(1-methylpiperazin-2-yl)-5-[1-(3-propan-2-ylphenoxy)ethyl]-1,2,4-oxadiazole
CID 120960367
3-(1-methylpiperazin-2-yl)-5-[1-[3-(trifluoromethyl)phenyl]propyl]-1,2,4-oxadiazole;hydrochloride
CID 120960732
5-(3,5-dichlorophenyl)-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120956142
5-[ethoxy(phenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120958661
5-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120958674
5-[(2,6-dichlorophenyl)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120957600
5-[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120956487

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The IUPAC name of 1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride (CID 120961508) is 1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for 1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for 1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is CN(C)C(c1cccc(Cl)c1)c1nc(C2CNCCN2C)no1.Cl.
What is the InChIKey of 1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
The InChIKey is XLCRTIBNXHRWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5O.ClH/c1-21(2)14(11-5-4-6-12(17)9-11)16-19-15(20-23-16)13-10-18-7-8-22(13)3;/h4-6,9,13-14,18H,7-8,10H2,1-3H3;1H.
What are the key properties of 1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride?
1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride has a molecular weight of 372.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,N-dimethyl-1-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 120961508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).