3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole

C21H19N5O — CID 44577553

IUPAC3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2ncc(N3CCC(c4nc(-c5ccncc5)no4)CC3)cc2c1
InChIInChI=1S/C21H19N5O/c1-2-4-19-17(3-1)13-18(14-23-19)26-11-7-16(8-12-26)21-24-20(25-27-21)15-5-9-22-10-6-15/h1-6,9-10,13-14,16H,7-8,11-12H2
InChIKeyBDKJSUBPXCXIJD-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.06
Rot. Bonds3

About 3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole

3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 44577553) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is 3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID44577553
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC Name3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESc1ccc2ncc(N3CCC(c4nc(-c5ccncc5)no4)CC3)cc2c1
InChIInChI=1S/C21H19N5O/c1-2-4-19-17(3-1)13-18(14-23-19)26-11-7-16(8-12-26)21-24-20(25-27-21)15-5-9-22-10-6-15/h1-6,9-10,13-14,16H,7-8,11-12H2
InChIKeyBDKJSUBPXCXIJD-UHFFFAOYSA-N
XLogP4.06
TPSA67.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole (CID 44577553) is 3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole is c1ccc2ncc(N3CCC(c4nc(-c5ccncc5)no4)CC3)cc2c1.
What is the InChIKey of 3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is BDKJSUBPXCXIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-2-4-19-17(3-1)13-18(14-23-19)26-11-7-16(8-12-26)21-24-20(25-27-21)15-5-9-22-10-6-15/h1-6,9-10,13-14,16H,7-8,11-12H2.
What are the key properties of 3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole?
3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 357.42 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-5-(1-quinolin-3-ylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 44577553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).