3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole

C20H21ClN4O2 — CID 59477116

IUPAC3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(-c3cccnc3OCCN3CCCCC3)n2)c1
InChIInChI=1S/C20H21ClN4O2/c21-16-7-4-6-15(14-16)18-23-20(27-24-18)17-8-5-9-22-19(17)26-13-12-25-10-2-1-3-11-25/h4-9,14H,1-3,10-13H2
InChIKeyCEQXRHBPWMSYJZ-UHFFFAOYSA-N
MW384.87 g/mol
LogP4.32
Rot. Bonds6

About 3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole

3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 59477116) has the molecular formula C20H21ClN4O2 and a molecular weight of 384.87 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID59477116
Molecular FormulaC20H21ClN4O2
Molecular Weight384.87 g/mol
Exact Mass384.14
IUPAC Name3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole
SMILESClc1cccc(-c2noc(-c3cccnc3OCCN3CCCCC3)n2)c1
InChIInChI=1S/C20H21ClN4O2/c21-16-7-4-6-15(14-16)18-23-20(27-24-18)17-8-5-9-22-19(17)26-13-12-25-10-2-1-3-11-25/h4-9,14H,1-3,10-13H2
InChIKeyCEQXRHBPWMSYJZ-UHFFFAOYSA-N
XLogP4.32
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole (CID 59477116) is 3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole is Clc1cccc(-c2noc(-c3cccnc3OCCN3CCCCC3)n2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is CEQXRHBPWMSYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O2/c21-16-7-4-6-15(14-16)18-23-20(27-24-18)17-8-5-9-22-19(17)26-13-12-25-10-2-1-3-11-25/h4-9,14H,1-3,10-13H2.
What are the key properties of 3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 384.87 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-[2-(2-piperidin-1-ylethoxy)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 59477116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).