3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride

C17H23Cl2N3O — CID 119947686

IUPAC3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride
SMILESCC(Cc1nc(Cc2ccccc2Cl)no1)C1CCCNC1.Cl
InChIInChI=1S/C17H22ClN3O.ClH/c1-12(14-6-4-8-19-11-14)9-17-20-16(21-22-17)10-13-5-2-3-7-15(13)18;/h2-3,5,7,12,14,19H,4,6,8-11H2,1H3;1H
InChIKeyKIAOGDSHCCRIRH-UHFFFAOYSA-N
MW356.30 g/mol
LogP3.91
Rot. Bonds5

About 3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride

3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 119947686) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID119947686
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride
SMILESCC(Cc1nc(Cc2ccccc2Cl)no1)C1CCCNC1.Cl
InChIInChI=1S/C17H22ClN3O.ClH/c1-12(14-6-4-8-19-11-14)9-17-20-16(21-22-17)10-13-5-2-3-7-15(13)18;/h2-3,5,7,12,14,19H,4,6,8-11H2,1H3;1H
InChIKeyKIAOGDSHCCRIRH-UHFFFAOYSA-N
XLogP3.91
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methoxymethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81046287
3-(3-chlorophenyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048775
3-[(2-chlorophenyl)methyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119947691
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-cyclopropyl-N-ethylethanamine
CID 63349919
3-(cyclopentylsulfanylmethyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81048201
5-(2-piperidin-3-ylpropyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 81046211
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349638
2-(2-piperidin-3-ylpropyl)-1,3-benzoxazole
CID 81046144
3-(2-methylcyclopropyl)-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole
CID 81047095
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349681
5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 119947681
N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 42189863

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride (CID 119947686) is 3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride is CC(Cc1nc(Cc2ccccc2Cl)no1)C1CCCNC1.Cl.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is KIAOGDSHCCRIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O.ClH/c1-12(14-6-4-8-19-11-14)9-17-20-16(21-22-17)10-13-5-2-3-7-15(13)18;/h2-3,5,7,12,14,19H,4,6,8-11H2,1H3;1H.
What are the key properties of 3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride?
3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 356.30 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]-5-(2-piperidin-3-ylpropyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 119947686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).