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

C15H19Cl2N3O2 — CID 120835900

IUPAC3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCC1(c2nc(-c3cccc(Cl)c3)no2)CCNCC1.Cl
InChIInChI=1S/C15H18ClN3O2.ClH/c1-20-10-15(5-7-17-8-6-15)14-18-13(19-21-14)11-3-2-4-12(16)9-11;/h2-4,9,17H,5-8,10H2,1H3;1H
InChIKeyAQQAALRZMPYGBT-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.08
Rot. Bonds4

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

3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 120835900) has the molecular formula C15H19Cl2N3O2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID120835900
Molecular FormulaC15H19Cl2N3O2
Molecular Weight344.24 g/mol
Exact Mass343.09
IUPAC Name3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
SMILESCOCC1(c2nc(-c3cccc(Cl)c3)no2)CCNCC1.Cl
InChIInChI=1S/C15H18ClN3O2.ClH/c1-20-10-15(5-7-17-8-6-15)14-18-13(19-21-14)11-3-2-4-12(16)9-11;/h2-4,9,17H,5-8,10H2,1H3;1H
InChIKeyAQQAALRZMPYGBT-UHFFFAOYSA-N
XLogP3.08
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(methoxymethyl)piperidin-4-yl]-3-(3-phenoxyphenyl)-1,2,4-oxadiazole
CID 120834711
4-[[3-[5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]morpholine
CID 120840405
3-(2,3-dihydro-1-benzofuran-5-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120892284
5-[4-(methoxymethyl)piperidin-4-yl]-3-thiophen-3-yl-1,2,4-oxadiazole
CID 120836273
5-[4-(methoxymethyl)piperidin-4-yl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole
CID 120841643
3-(5-bromofuran-2-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120842233
3-[(2-chlorophenyl)methyl]-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole
CID 120834343
5-(4-ethylpiperidin-4-yl)-3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazole
CID 63125992
4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-ol
CID 106950095
5-[4-(methoxymethyl)piperidin-4-yl]-3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120838673
5-[4-(methoxymethyl)piperidin-4-yl]-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 120836392
3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120838500

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride (CID 120835900) is 3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride is COCC1(c2nc(-c3cccc(Cl)c3)no2)CCNCC1.Cl.
What is the InChIKey of 3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is AQQAALRZMPYGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2.ClH/c1-20-10-15(5-7-17-8-6-15)14-18-13(19-21-14)11-3-2-4-12(16)9-11;/h2-4,9,17H,5-8,10H2,1H3;1H.
What are the key properties of 3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride?
3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 344.24 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 120835900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).