2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol

C₁₁H₁₂BrN₃O₂ — CID 114024025

About 2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol

2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 114024025) has the molecular formula C₁₁H₁₂BrN₃O₂ and a molecular weight of 298.14 g/mol. Its IUPAC name is 2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

• Compound Name: 2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
• PubChem CID: 114024025
• Molecular Formula: C₁₁H₁₂BrN₃O₂
• Molecular Weight: 298.14 g/mol
• Exact Mass: 297.01
• IUPAC Name: 2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
• SMILES: Cc1cccc(-c2nc(C(N)CO)no2)c1Br
• InChI: InChI=1S/C11H12BrN3O2/c1-6-3-2-4-7(9(6)12)11-14-10(15-17-11)8(13)5-16/h2-4,8,16H,5,13H2,1H3
• InChIKey: DKONFTFXRYIMSO-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 85.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	298.14
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 114024025) is 2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol.

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

The canonical SMILES for 2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is Cc1cccc(-c2nc(C(N)CO)no2)c1Br.

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

The InChIKey is DKONFTFXRYIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O2/c1-6-3-2-4-7(9(6)12)11-14-10(15-17-11)8(13)5-16/h2-4,8,16H,5,13H2,1H3.

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

2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 298.14 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 114024025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 114024025 — identifiers, structure, computed properties (public domain)

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