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

C9H9BrN4O2 — CID 104633231

IUPAC2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2ccc(Br)cn2)n1
InChIInChI=1S/C9H9BrN4O2/c10-5-1-2-7(12-3-5)9-13-8(14-16-9)6(11)4-15/h1-3,6,15H,4,11H2
InChIKeyAODIQIGJPSOGBK-UHFFFAOYSA-N
MW285.10 g/mol
LogP0.89
Rot. Bonds3

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

2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 104633231) has the molecular formula C9H9BrN4O2 and a molecular weight of 285.10 g/mol. Its IUPAC name is 2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID104633231
Molecular FormulaC9H9BrN4O2
Molecular Weight285.10 g/mol
Exact Mass283.99
IUPAC Name2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESNC(CO)c1noc(-c2ccc(Br)cn2)n1
InChIInChI=1S/C9H9BrN4O2/c10-5-1-2-7(12-3-5)9-13-8(14-16-9)6(11)4-15/h1-3,6,15H,4,11H2
InChIKeyAODIQIGJPSOGBK-UHFFFAOYSA-N
XLogP0.89
TPSA98.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-2-[5-(3-bromo-5-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 114018606
2-amino-2-[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 106855875
2-amino-2-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633256
2-amino-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633410
2-amino-2-[5-(thiadiazol-4-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633150
2-amino-2-[5-[4-bromo-2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 107333439
2-amino-2-(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)ethanol
CID 104633216
2-amino-2-[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633217
2-amino-2-[5-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 113435353
2-amino-2-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633412
2-amino-2-[5-(2-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 114024025
2-amino-2-[5-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633379

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 104633231) is 2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol is NC(CO)c1noc(-c2ccc(Br)cn2)n1.
What is the InChIKey of 2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is AODIQIGJPSOGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O2/c10-5-1-2-7(12-3-5)9-13-8(14-16-9)6(11)4-15/h1-3,6,15H,4,11H2.
What are the key properties of 2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol?
2-amino-2-[5-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 285.10 g/mol, XLogP of 0.89, 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-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 104633231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).