2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole

C21H22ClN3O2 — CID 55470479

IUPAC2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(CN2CCC(OCc3ccccc3)CC2)o1
InChIInChI=1S/C21H22ClN3O2/c22-19-9-5-4-8-18(19)21-24-23-20(27-21)14-25-12-10-17(11-13-25)26-15-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyMQVNGNHOWYTLEU-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.57
Rot. Bonds6

About 2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole

2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 55470479) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID55470479
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESClc1ccccc1-c1nnc(CN2CCC(OCc3ccccc3)CC2)o1
InChIInChI=1S/C21H22ClN3O2/c22-19-9-5-4-8-18(19)21-24-23-20(27-21)14-25-12-10-17(11-13-25)26-15-16-6-2-1-3-7-16/h1-9,17H,10-15H2
InChIKeyMQVNGNHOWYTLEU-UHFFFAOYSA-N
XLogP4.57
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole (CID 55470479) is 2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole is Clc1ccccc1-c1nnc(CN2CCC(OCc3ccccc3)CC2)o1.
What is the InChIKey of 2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is MQVNGNHOWYTLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c22-19-9-5-4-8-18(19)21-24-23-20(27-21)14-25-12-10-17(11-13-25)26-15-16-6-2-1-3-7-16/h1-9,17H,10-15H2.
What are the key properties of 2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole?
2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 383.88 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 55470479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).