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

C8H8BrN3O3 — CID 106855875

IUPAC2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2ccoc2Br)n1
InChIInChI=1S/C8H8BrN3O3/c9-6-4(1-2-14-6)8-11-7(12-15-8)5(10)3-13/h1-2,5,13H,3,10H2
InChIKeyHLWCJWOWIWPIGA-UHFFFAOYSA-N
MW274.07 g/mol
LogP1.08
Rot. Bonds3

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

2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 106855875) has the molecular formula C8H8BrN3O3 and a molecular weight of 274.07 g/mol. Its IUPAC name is 2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID106855875
Molecular FormulaC8H8BrN3O3
Molecular Weight274.07 g/mol
Exact Mass272.97
IUPAC Name2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2ccoc2Br)n1
InChIInChI=1S/C8H8BrN3O3/c9-6-4(1-2-14-6)8-11-7(12-15-8)5(10)3-13/h1-2,5,13H,3,10H2
InChIKeyHLWCJWOWIWPIGA-UHFFFAOYSA-N
XLogP1.08
TPSA98.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.07
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[5-(5-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435331
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633412
[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 106854843
2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 114024025
2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633231
2-amino-2-[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107333439
2-amino-2-[5-(3-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633198
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633216
2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633150
2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435353

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol (CID 106855875) is 2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(-c2ccoc2Br)n1.
What is the InChIKey of 2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is HLWCJWOWIWPIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN3O3/c9-6-4(1-2-14-6)8-11-7(12-15-8)5(10)3-13/h1-2,5,13H,3,10H2.
What are the key properties of 2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 274.07 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 106855875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).