1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C15H14F3N3O3 — CID 138055408

About 1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 138055408) has the molecular formula C15H14F3N3O3 and a molecular weight of 341.29 g/mol. Its IUPAC name is 1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
• PubChem CID: 138055408
• Molecular Formula: C15H14F3N3O3
• Molecular Weight: 341.29 g/mol
• Exact Mass: 341.10
• IUPAC Name: 1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
• SMILES: CN1CCC(C)(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)C1=O
• InChI: InChI=1S/C15H14F3N3O3/c1-14(7-8-21(2)13(14)22)12-19-11(20-24-12)9-3-5-10(6-4-9)23-15(16,17)18/h3-6H,7-8H2,1-2H3
• InChIKey: GEXZTTZFCGQDPX-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.29
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 138055408) is 1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

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

The canonical SMILES for 1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CN1CCC(C)(c2nc(-c3ccc(OC(F)(F)F)cc3)no2)C1=O.

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

The InChIKey is GEXZTTZFCGQDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O3/c1-14(7-8-21(2)13(14)22)12-19-11(20-24-12)9-3-5-10(6-4-9)23-15(16,17)18/h3-6H,7-8H2,1-2H3.

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

1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 341.29 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethyl-3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 138055408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).