3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole

C14H16ClN3O — CID 82626563

IUPAC3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CC3CCCCN3)n2)cc1
InChIInChI=1S/C14H16ClN3O/c15-11-6-4-10(5-7-11)14-17-13(19-18-14)9-12-3-1-2-8-16-12/h4-7,12,16H,1-3,8-9H2
InChIKeyHZOKLTYUOKFIOP-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.07
Rot. Bonds3

About 3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole

3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole (PubChem CID 82626563) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole
PubChem CID82626563
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2noc(CC3CCCCN3)n2)cc1
InChIInChI=1S/C14H16ClN3O/c15-11-6-4-10(5-7-11)14-17-13(19-18-14)9-12-3-1-2-8-16-12/h4-7,12,16H,1-3,8-9H2
InChIKeyHZOKLTYUOKFIOP-UHFFFAOYSA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluoro-3-methylphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371734
3-(2-bromo-3,4-difluorophenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 107537313
3-(3-bromo-4-methoxyphenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 106950858
5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 55049135
3-naphthalen-1-yl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 62716048
3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 107917941
3-(3-bromo-5-fluorophenyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 66425591
5-(pyrrolidin-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole;hydrochloride
CID 119947933
2-chloro-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 84670367
3-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 82800313
3-(6-methoxypyridazin-3-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 103372840
3-[(2-chlorophenyl)methyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119947691

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole (CID 82626563) is 3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole is Clc1ccc(-c2noc(CC3CCCCN3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is HZOKLTYUOKFIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-11-6-4-10(5-7-11)14-17-13(19-18-14)9-12-3-1-2-8-16-12/h4-7,12,16H,1-3,8-9H2.
What are the key properties of 3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole?
3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 277.75 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-(piperidin-2-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 82626563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).