3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide

C19H24F3N3O2 — CID 83280023

About 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide

3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide (PubChem CID 83280023) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide.

Molecular Properties

• Compound Name: 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide
• PubChem CID: 83280023
• Molecular Formula: C19H24F3N3O2
• Molecular Weight: 383.41 g/mol
• Exact Mass: 383.18
• IUPAC Name: 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide
• SMILES: CCC(C)C(NC(=O)CC(C)C)c1nc(-c2ccc(C(F)(F)F)cc2)no1
• InChI: InChI=1S/C19H24F3N3O2/c1-5-12(4)16(23-15(26)10-11(2)3)18-24-17(25-27-18)13-6-8-14(9-7-13)19(20,21)22/h6-9,11-12,16H,5,10H2,1-4H3,(H,23,26)
• InChIKey: WIUSOQNVRQZQGT-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 68.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	383.41
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide?

The IUPAC name of 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide (CID 83280023) is 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide.

What is the SMILES notation for 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide?

The canonical SMILES for 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide is CCC(C)C(NC(=O)CC(C)C)c1nc(-c2ccc(C(F)(F)F)cc2)no1.

What is the InChIKey of 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide?

The InChIKey is WIUSOQNVRQZQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-5-12(4)16(23-15(26)10-11(2)3)18-24-17(25-27-18)13-6-8-14(9-7-13)19(20,21)22/h6-9,11-12,16H,5,10H2,1-4H3,(H,23,26).

What are the key properties of 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide?

3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide has a molecular weight of 383.41 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-N-[2-methyl-1-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]butyl]butanamide is sourced from PubChem (CID 83280023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).