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5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole

C22H22N6O — CID 72839692

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(N3CCC(c4nccn4Cc4ccncc4)CC3)no2)cc1
InChIInChI=1S/C22H22N6O/c1-2-4-19(5-3-1)21-25-22(26-29-21)27-13-8-18(9-14-27)20-24-12-15-28(20)16-17-6-10-23-11-7-17/h1-7,10-12,15,18H,8-9,13-14,16H2
InChIKeyATXQNTGQMVWWAY-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.76
Rot. Bonds5

About 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole

5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole (PubChem CID 72839692) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
PubChem CID72839692
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole
SMILESc1ccc(-c2nc(N3CCC(c4nccn4Cc4ccncc4)CC3)no2)cc1
InChIInChI=1S/C22H22N6O/c1-2-4-19(5-3-1)21-25-22(26-29-21)27-13-8-18(9-14-27)20-24-12-15-28(20)16-17-6-10-23-11-7-17/h1-7,10-12,15,18H,8-9,13-14,16H2
InChIKeyATXQNTGQMVWWAY-UHFFFAOYSA-N
XLogP3.76
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole (CID 72839692) is 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole is c1ccc(-c2nc(N3CCC(c4nccn4Cc4ccncc4)CC3)no2)cc1.
What is the InChIKey of 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is ATXQNTGQMVWWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-2-4-19(5-3-1)21-25-22(26-29-21)27-13-8-18(9-14-27)20-24-12-15-28(20)16-17-6-10-23-11-7-17/h1-7,10-12,15,18H,8-9,13-14,16H2.
What are the key properties of 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole?
5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 386.46 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 72839692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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