2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide

C14H13F3N4O2 — CID 71784129

About 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide

2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide (PubChem CID 71784129) has the molecular formula C14H13F3N4O2 and a molecular weight of 326.28 g/mol. Its IUPAC name is 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
• PubChem CID: 71784129
• Molecular Formula: C14H13F3N4O2
• Molecular Weight: 326.28 g/mol
• Exact Mass: 326.10
• IUPAC Name: 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide
• SMILES: NC(=O)CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1
• InChI: InChI=1S/C14H13F3N4O2/c15-14(16,17)10-3-1-2-8(4-10)12-19-13(23-20-12)9-5-21(6-9)7-11(18)22/h1-4,9H,5-7H2,(H2,18,22)
• InChIKey: QMPOXFOVQYYTHX-UHFFFAOYSA-N
• XLogP: 1.64
• TPSA: 85.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	326.28
LogP ≤ 5	1.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?

The IUPAC name of 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide (CID 71784129) is 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide.

What is the SMILES notation for 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?

The canonical SMILES for 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide is NC(=O)CN1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1.

What is the InChIKey of 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?

The InChIKey is QMPOXFOVQYYTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4O2/c15-14(16,17)10-3-1-2-8(4-10)12-19-13(23-20-12)9-5-21(6-9)7-11(18)22/h1-4,9H,5-7H2,(H2,18,22).

What are the key properties of 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide?

2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide has a molecular weight of 326.28 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide is sourced from PubChem (CID 71784129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).