3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

C14H17Cl2N3O2 — CID 119999951

IUPAC3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOC1(c2nc(-c3ccccc3Cl)no2)CCNCC1.Cl
InChIInChI=1S/C14H16ClN3O2.ClH/c1-19-14(6-8-16-9-7-14)13-17-12(18-20-13)10-4-2-3-5-11(10)15;/h2-5,16H,6-9H2,1H3;1H
InChIKeyIRRMZUVCJBLPOE-UHFFFAOYSA-N
MW330.21 g/mol
LogP3.04
Rot. Bonds3

About 3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride

3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 119999951) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.21 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
PubChem CID119999951
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.21 g/mol
Exact Mass329.07
IUPAC Name3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
SMILESCOC1(c2nc(-c3ccccc3Cl)no2)CCNCC1.Cl
InChIInChI=1S/C14H16ClN3O2.ClH/c1-19-14(6-8-16-9-7-14)13-17-12(18-20-13)10-4-2-3-5-11(10)15;/h2-5,16H,6-9H2,1H3;1H
InChIKeyIRRMZUVCJBLPOE-UHFFFAOYSA-N
XLogP3.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.21
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole
CID 100656099
3-(2-chlorophenyl)-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83070290
3-(2-methoxyphenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145179
5-(3-ethylpyrrolidin-3-yl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 63145223
3-(2-chlorophenyl)-5-[(3-methylazetidin-3-yl)oxymethyl]-1,2,4-oxadiazole
CID 102655428
3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608442
3-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 72859179
3-(2-chlorophenyl)-5-[(2,2-dimethylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 65462794
5-(4-methoxyoxan-4-yl)-3-(5-phenyl-2H-triazol-4-yl)-1,2,4-oxadiazole
CID 154870100
3-(3-chlorophenyl)-5-[4-(methoxymethyl)piperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120835900
3-(2-methylphenyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983333
(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120833718

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride (CID 119999951) is 3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is COC1(c2nc(-c3ccccc3Cl)no2)CCNCC1.Cl.
What is the InChIKey of 3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is IRRMZUVCJBLPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2.ClH/c1-19-14(6-8-16-9-7-14)13-17-12(18-20-13)10-4-2-3-5-11(10)15;/h2-5,16H,6-9H2,1H3;1H.
What are the key properties of 3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride?
3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 330.21 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(4-methoxypiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 119999951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).