5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole

C26H27N5O — CID 67264898

IUPAC5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc1
InChIInChI=1S/C26H27N5O/c1-19-9-11-20(12-10-19)26-29-24(30-32-26)23(22-8-5-13-27-18-22)17-21-7-6-14-28-25(21)31-15-3-2-4-16-31/h5-14,18,23H,2-4,15-17H2,1H3
InChIKeyGHUQIMRYIXLLEW-UHFFFAOYSA-N
MW425.54 g/mol
LogP5.20
Rot. Bonds6

About 5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole

5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole (PubChem CID 67264898) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole
PubChem CID67264898
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc1
InChIInChI=1S/C26H27N5O/c1-19-9-11-20(12-10-19)26-29-24(30-32-26)23(22-8-5-13-27-18-22)17-21-7-6-14-28-25(21)31-15-3-2-4-16-31/h5-14,18,23H,2-4,15-17H2,1H3
InChIKeyGHUQIMRYIXLLEW-UHFFFAOYSA-N
XLogP5.20
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.54
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole (CID 67264898) is 5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole is Cc1ccc(-c2nc(C(Cc3cccnc3N3CCCCC3)c3cccnc3)no2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole?
The InChIKey is GHUQIMRYIXLLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-19-9-11-20(12-10-19)26-29-24(30-32-26)23(22-8-5-13-27-18-22)17-21-7-6-14-28-25(21)31-15-3-2-4-16-31/h5-14,18,23H,2-4,15-17H2,1H3.
What are the key properties of 5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole?
5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole has a molecular weight of 425.54 g/mol, XLogP of 5.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-3-[2-(2-piperidin-1-yl-3-pyridinyl)-1-pyridin-3-ylethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 67264898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).