1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C22H20F3N3O2 — CID 16875651

About 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 16875651) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
• PubChem CID: 16875651
• Molecular Formula: C22H20F3N3O2
• Molecular Weight: 415.42 g/mol
• Exact Mass: 415.15
• IUPAC Name: 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
• SMILES: CC(C)c1ccc(N2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1
• InChI: InChI=1S/C22H20F3N3O2/c1-13(2)14-6-8-18(9-7-14)28-12-16(11-19(28)29)21-26-20(27-30-21)15-4-3-5-17(10-15)22(23,24)25/h3-10,13,16H,11-12H2,1-2H3
• InChIKey: UNGDQCJRSLUZDB-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.42
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

The IUPAC name of 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 16875651) is 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

What is the SMILES notation for 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

The canonical SMILES for 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CC(C)c1ccc(N2CC(c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2=O)cc1.

What is the InChIKey of 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

The InChIKey is UNGDQCJRSLUZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c1-13(2)14-6-8-18(9-7-14)28-12-16(11-19(28)29)21-26-20(27-30-21)15-4-3-5-17(10-15)22(23,24)25/h3-10,13,16H,11-12H2,1-2H3.

What are the key properties of 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?

1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 415.42 g/mol, XLogP of 5.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-propan-2-ylphenyl)-4-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 16875651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).