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

C14H16ClN3O — CID 42157560

IUPAC3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(CN3CCCCC3)n2)c1
InChIInChI=1S/C14H16ClN3O/c15-12-6-4-5-11(9-12)14-16-13(19-17-14)10-18-7-2-1-3-8-18/h4-6,9H,1-3,7-8,10H2
InChIKeyLUWVRWWKKHEQSY-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.38
Rot. Bonds3

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

3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 42157560) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID42157560
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(CN3CCCCC3)n2)c1
InChIInChI=1S/C14H16ClN3O/c15-12-6-4-5-11(9-12)14-16-13(19-17-14)10-18-7-2-1-3-8-18/h4-6,9H,1-3,7-8,10H2
InChIKeyLUWVRWWKKHEQSY-UHFFFAOYSA-N
XLogP3.38
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole (CID 42157560) is 3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole is Clc1cccc(-c2noc(CN3CCCCC3)n2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is LUWVRWWKKHEQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-6-4-5-11(9-12)14-16-13(19-17-14)10-18-7-2-1-3-8-18/h4-6,9H,1-3,7-8,10H2.
What are the key properties of 3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 277.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 42157560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).