5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

C20H18F3N3O2 — CID 25255873

IUPAC5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)27-17-7-3-2-6-16(17)18-24-19(28-25-18)14-8-10-15(11-9-14)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2
InChIKeyKQFSYCRBNMXVTG-UHFFFAOYSA-N
MW389.38 g/mol
LogP5.29
Rot. Bonds4

About 5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 25255873) has the molecular formula C20H18F3N3O2 and a molecular weight of 389.38 g/mol. Its IUPAC name is 5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID25255873
Molecular FormulaC20H18F3N3O2
Molecular Weight389.38 g/mol
Exact Mass389.14
IUPAC Name5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C20H18F3N3O2/c21-20(22,23)27-17-7-3-2-6-16(17)18-24-19(28-25-18)14-8-10-15(11-9-14)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2
InChIKeyKQFSYCRBNMXVTG-UHFFFAOYSA-N
XLogP5.29
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.38
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole (CID 25255873) is 5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccccc1-c1noc(-c2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is KQFSYCRBNMXVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N3O2/c21-20(22,23)27-17-7-3-2-6-16(17)18-24-19(28-25-18)14-8-10-15(11-9-14)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-13H2.
What are the key properties of 5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole?
5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 389.38 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-piperidin-1-ylphenyl)-3-[2-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 25255873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).