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

C20H20ClN3O2 — CID 71585288

IUPAC3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CCNCC2)c1
InChIInChI=1S/C20H20ClN3O2/c21-15-6-7-17(18(13-15)25-16-8-10-22-11-9-16)20-23-19(24-26-20)12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2
InChIKeyRPXNGZYCGQJGOU-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.11
Rot. Bonds5

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

3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 71585288) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID71585288
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole
SMILESClc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CCNCC2)c1
InChIInChI=1S/C20H20ClN3O2/c21-15-6-7-17(18(13-15)25-16-8-10-22-11-9-16)20-23-19(24-26-20)12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2
InChIKeyRPXNGZYCGQJGOU-UHFFFAOYSA-N
XLogP4.11
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole (CID 71585288) is 3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole is Clc1ccc(-c2nc(Cc3ccccc3)no2)c(OC2CCNCC2)c1.
What is the InChIKey of 3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is RPXNGZYCGQJGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c21-15-6-7-17(18(13-15)25-16-8-10-22-11-9-16)20-23-19(24-26-20)12-14-4-2-1-3-5-14/h1-7,13,16,22H,8-12H2.
What are the key properties of 3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole?
3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 369.85 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-chloro-2-piperidin-4-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71585288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).