3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole

C20H21N3O2 — CID 71585188

IUPAC3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(-c3ccccc3OC3CCNCC3)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-6-15(7-3-1)14-19-22-20(25-23-19)17-8-4-5-9-18(17)24-16-10-12-21-13-11-16/h1-9,16,21H,10-14H2
InChIKeyFGXPTPFOVPHPGR-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.46
Rot. Bonds5

About 3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole

3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 71585188) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID71585188
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
SMILESc1ccc(Cc2noc(-c3ccccc3OC3CCNCC3)n2)cc1
InChIInChI=1S/C20H21N3O2/c1-2-6-15(7-3-1)14-19-22-20(25-23-19)17-8-4-5-9-18(17)24-16-10-12-21-13-11-16/h1-9,16,21H,10-14H2
InChIKeyFGXPTPFOVPHPGR-UHFFFAOYSA-N
XLogP3.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole (CID 71585188) is 3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole is c1ccc(Cc2noc(-c3ccccc3OC3CCNCC3)n2)cc1.
What is the InChIKey of 3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is FGXPTPFOVPHPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-6-15(7-3-1)14-19-22-20(25-23-19)17-8-4-5-9-18(17)24-16-10-12-21-13-11-16/h1-9,16,21H,10-14H2.
What are the key properties of 3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 335.41 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71585188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).