5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

C25H18F3N5O — CID 23644869

About 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine

5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (PubChem CID 23644869) has the molecular formula C25H18F3N5O and a molecular weight of 461.45 g/mol. Its IUPAC name is 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

• Compound Name: 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
• PubChem CID: 23644869
• Molecular Formula: C25H18F3N5O
• Molecular Weight: 461.45 g/mol
• Exact Mass: 461.15
• IUPAC Name: 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine
• SMILES: FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3CCc3cccc4ncccc34)o2)c1
• InChI: InChI=1S/C25H18F3N5O/c26-25(27,28)17-6-2-7-18(15-17)31-24-33-32-23(34-24)20-9-4-14-30-22(20)12-11-16-5-1-10-21-19(16)8-3-13-29-21/h1-10,13-15H,11-12H2,(H,31,33)
• InChIKey: XKVJYDWEZBIGNZ-UHFFFAOYSA-N
• XLogP: 6.23
• TPSA: 76.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.45
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The IUPAC name of 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine (CID 23644869) is 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine.

What is the SMILES notation for 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The canonical SMILES for 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is FC(F)(F)c1cccc(Nc2nnc(-c3cccnc3CCc3cccc4ncccc34)o2)c1.

What is the InChIKey of 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

The InChIKey is XKVJYDWEZBIGNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18F3N5O/c26-25(27,28)17-6-2-7-18(15-17)31-24-33-32-23(34-24)20-9-4-14-30-22(20)12-11-16-5-1-10-21-19(16)8-3-13-29-21/h1-10,13-15H,11-12H2,(H,31,33).

What are the key properties of 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine?

5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 461.45 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(2-quinolin-5-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 23644869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).