quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

C24H19F3N4O2 — CID 121069125

About quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone

quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 121069125) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 121069125
• Molecular Formula: C24H19F3N4O2
• Molecular Weight: 452.44 g/mol
• Exact Mass: 452.15
• IUPAC Name: quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc2ccccc2n1)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1
• InChI: InChI=1S/C24H19F3N4O2/c25-24(26,27)18-10-7-16(8-11-18)21-29-30-22(33-21)17-5-3-13-31(14-17)23(32)20-12-9-15-4-1-2-6-19(15)28-20/h1-2,4,6-12,17H,3,5,13-14H2
• InChIKey: VMOMFZZBIJYGMJ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.44
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone (CID 121069125) is quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is O=C(c1ccc2ccccc2n1)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1.

What is the InChIKey of quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is VMOMFZZBIJYGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c25-24(26,27)18-10-7-16(8-11-18)21-29-30-22(33-21)17-5-3-13-31(14-17)23(32)20-12-9-15-4-1-2-6-19(15)28-20/h1-2,4,6-12,17H,3,5,13-14H2.

What are the key properties of quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone?

quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 452.44 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for quinolin-2-yl-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 121069125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).