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

C₁₇H₁₅F₆N₃O₂ — CID 155768651

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

N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide (PubChem CID 155768651) has the molecular formula C₁₇H₁₅F₆N₃O₂ and a molecular weight of 407.31 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
• PubChem CID: 155768651
• Molecular Formula: C₁₇H₁₅F₆N₃O₂
• Molecular Weight: 407.31 g/mol
• Exact Mass: 407.11
• IUPAC Name: N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide
• SMILES: O=C(C1CCC1)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)CC(F)(F)F
• InChI: InChI=1S/C17H15F6N3O2/c18-16(19,20)9-26(14(27)12-2-1-3-12)8-10-4-6-11(7-5-10)13-24-15(28-25-13)17(21,22)23/h4-7,12H,1-3,8-9H2
• InChIKey: QDMUDOANQOYJJL-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 59.23 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.31
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide (CID 155768651) is N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide.

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

The canonical SMILES for N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide is O=C(C1CCC1)N(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)CC(F)(F)F.

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

The InChIKey is QDMUDOANQOYJJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N3O2/c18-16(19,20)9-26(14(27)12-2-1-3-12)8-10-4-6-11(7-5-10)13-24-15(28-25-13)17(21,22)23/h4-7,12H,1-3,8-9H2.

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

N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide has a molecular weight of 407.31 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,2,2-trifluoroethyl)-N-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 155768651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155768651 — identifiers, structure, computed properties (public domain)

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