5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one

C20H16F3N3O4 — CID 121069271

About 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one

5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one (PubChem CID 121069271) has the molecular formula C20H16F3N3O4 and a molecular weight of 419.36 g/mol. Its IUPAC name is 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one.

Molecular Properties

• Compound Name: 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one
• PubChem CID: 121069271
• Molecular Formula: C20H16F3N3O4
• Molecular Weight: 419.36 g/mol
• Exact Mass: 419.11
• IUPAC Name: 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one
• SMILES: O=C(c1ccc(=O)oc1)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1
• InChI: InChI=1S/C20H16F3N3O4/c21-20(22,23)15-6-3-12(4-7-15)17-24-25-18(30-17)13-2-1-9-26(10-13)19(28)14-5-8-16(27)29-11-14/h3-8,11,13H,1-2,9-10H2
• InChIKey: FRTLZEFUAFSPLO-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 89.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.36
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one?

The IUPAC name of 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one (CID 121069271) is 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one.

What is the SMILES notation for 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one?

The canonical SMILES for 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one is O=C(c1ccc(=O)oc1)N1CCCC(c2nnc(-c3ccc(C(F)(F)F)cc3)o2)C1.

What is the InChIKey of 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one?

The InChIKey is FRTLZEFUAFSPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O4/c21-20(22,23)15-6-3-12(4-7-15)17-24-25-18(30-17)13-2-1-9-26(10-13)19(28)14-5-8-16(27)29-11-14/h3-8,11,13H,1-2,9-10H2.

What are the key properties of 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one?

5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one has a molecular weight of 419.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 121069271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).