2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

C₉H₁₄F₃N₃O₂ — CID 103857824

About 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103857824) has the molecular formula C₉H₁₄F₃N₃O₂ and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

• Compound Name: 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
• PubChem CID: 103857824
• Molecular Formula: C₉H₁₄F₃N₃O₂
• Molecular Weight: 253.22 g/mol
• Exact Mass: 253.10
• IUPAC Name: 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
• SMILES: CCc1nnc(CN(CCO)CC(F)(F)F)o1
• InChI: InChI=1S/C9H14F3N3O2/c1-2-7-13-14-8(17-7)5-15(3-4-16)6-9(10,11)12/h16H,2-6H2,1H3
• InChIKey: ZOADDLPWKBFXOI-UHFFFAOYSA-N
• XLogP: 0.99
• TPSA: 62.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.22
LogP ≤ 5	0.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?

The IUPAC name of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol (CID 103857824) is 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol.

What is the SMILES notation for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?

The canonical SMILES for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is CCc1nnc(CN(CCO)CC(F)(F)F)o1.

What is the InChIKey of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?

The InChIKey is ZOADDLPWKBFXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c1-2-7-13-14-8(17-7)5-15(3-4-16)6-9(10,11)12/h16H,2-6H2,1H3.

What are the key properties of 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol?

2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 253.22 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103857824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 103857824 — identifiers, structure, computed properties (public domain)

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