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

C14H16ClN3O — CID 79608442

IUPAC3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(CC2CCNCC2)n1
InChIInChI=1S/C14H16ClN3O/c15-12-4-2-1-3-11(12)14-17-13(19-18-14)9-10-5-7-16-8-6-10/h1-4,10,16H,5-9H2
InChIKeyBPJCKZWAGQAAMA-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.93
Rot. Bonds3

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

3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 79608442) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID79608442
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
SMILESClc1ccccc1-c1noc(CC2CCNCC2)n1
InChIInChI=1S/C14H16ClN3O/c15-12-4-2-1-3-11(12)14-17-13(19-18-14)9-10-5-7-16-8-6-10/h1-4,10,16H,5-9H2
InChIKeyBPJCKZWAGQAAMA-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(8-azabicyclo[3.2.1]octan-3-ylmethyl)-3-(2-chlorophenyl)-1,2,4-oxadiazole
CID 79609412
3-phenyl-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 71261689
3-(2-ethoxyphenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 75539076
5-(azepan-4-ylmethyl)-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120835096
3-(6-methyl-2-pyridinyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79608887
1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]azetidin-3-amine
CID 65250028
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanamine
CID 63352508
[1-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-3-yl]methanol
CID 62371397
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]phenol
CID 80740466
3-(2-phenylmethoxyphenyl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120839834
5-(piperidin-4-ylmethyl)-3-thiophen-3-yl-1,2,4-oxadiazole;hydrochloride
CID 119947859
3-(2-methylphenyl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 94540047

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole (CID 79608442) is 3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is Clc1ccccc1-c1noc(CC2CCNCC2)n1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is BPJCKZWAGQAAMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-4-2-1-3-11(12)14-17-13(19-18-14)9-10-5-7-16-8-6-10/h1-4,10,16H,5-9H2.
What are the key properties of 3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 277.75 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79608442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).