3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole

C19H22N6O — CID 74243204

IUPAC3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCN(c3nccc(-c4ccccn4)n3)CC2)n1
InChIInChI=1S/C19H22N6O/c1-13(2)17-23-18(26-24-17)14-7-11-25(12-8-14)19-21-10-6-16(22-19)15-5-3-4-9-20-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3
InChIKeyHOXWZJAFLRDQAG-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.43
Rot. Bonds4

About 3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole

3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole (PubChem CID 74243204) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
PubChem CID74243204
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole
SMILESCC(C)c1noc(C2CCN(c3nccc(-c4ccccn4)n3)CC2)n1
InChIInChI=1S/C19H22N6O/c1-13(2)17-23-18(26-24-17)14-7-11-25(12-8-14)19-21-10-6-16(22-19)15-5-3-4-9-20-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3
InChIKeyHOXWZJAFLRDQAG-UHFFFAOYSA-N
XLogP3.43
TPSA80.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole (CID 74243204) is 3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole is CC(C)c1noc(C2CCN(c3nccc(-c4ccccn4)n3)CC2)n1.
What is the InChIKey of 3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
The InChIKey is HOXWZJAFLRDQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13(2)17-23-18(26-24-17)14-7-11-25(12-8-14)19-21-10-6-16(22-19)15-5-3-4-9-20-15/h3-6,9-10,13-14H,7-8,11-12H2,1-2H3.
What are the key properties of 3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole has a molecular weight of 350.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[1-(4-pyridin-2-ylpyrimidin-2-yl)piperidin-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 74243204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).