2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole

C22H25N3O2 — CID 47544378

IUPAC2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C(C)N3CCC(Oc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-8-10-18(11-9-16)22-24-23-21(27-22)17(2)25-14-12-20(13-15-25)26-19-6-4-3-5-7-19/h3-11,17,20H,12-15H2,1-2H3
InChIKeyPYRXXEXZZPGIDP-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.65
Rot. Bonds5

About 2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole

2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 47544378) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
PubChem CID47544378
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCc1ccc(-c2nnc(C(C)N3CCC(Oc4ccccc4)CC3)o2)cc1
InChIInChI=1S/C22H25N3O2/c1-16-8-10-18(11-9-16)22-24-23-21(27-22)17(2)25-14-12-20(13-15-25)26-19-6-4-3-5-7-19/h3-11,17,20H,12-15H2,1-2H3
InChIKeyPYRXXEXZZPGIDP-UHFFFAOYSA-N
XLogP4.65
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole (CID 47544378) is 2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole is Cc1ccc(-c2nnc(C(C)N3CCC(Oc4ccccc4)CC3)o2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is PYRXXEXZZPGIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-16-8-10-18(11-9-16)22-24-23-21(27-22)17(2)25-14-12-20(13-15-25)26-19-6-4-3-5-7-19/h3-11,17,20H,12-15H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 363.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 47544378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).