3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

C20H22N4O — CID 53037167

IUPAC3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccc(N4CCC(C)CC4)nc3)n2)cc1
InChIInChI=1S/C20H22N4O/c1-14-3-5-16(6-4-14)19-22-20(25-23-19)17-7-8-18(21-13-17)24-11-9-15(2)10-12-24/h3-8,13,15H,9-12H2,1-2H3
InChIKeyIYXJIZXQSVZOIY-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.34
Rot. Bonds3

About 3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole

3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (PubChem CID 53037167) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
PubChem CID53037167
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(-c3ccc(N4CCC(C)CC4)nc3)n2)cc1
InChIInChI=1S/C20H22N4O/c1-14-3-5-16(6-4-14)19-22-20(25-23-19)17-7-8-18(21-13-17)24-11-9-15(2)10-12-24/h3-8,13,15H,9-12H2,1-2H3
InChIKeyIYXJIZXQSVZOIY-UHFFFAOYSA-N
XLogP4.34
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole (CID 53037167) is 3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is Cc1ccc(-c2noc(-c3ccc(N4CCC(C)CC4)nc3)n2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
The InChIKey is IYXJIZXQSVZOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-3-5-16(6-4-14)19-22-20(25-23-19)17-7-8-18(21-13-17)24-11-9-15(2)10-12-24/h3-8,13,15H,9-12H2,1-2H3.
What are the key properties of 3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole?
3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole has a molecular weight of 334.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-5-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole is sourced from PubChem (CID 53037167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).