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

C10H8BrFN2O2 — CID 102660777

IUPAC1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(-c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C10H8BrFN2O2/c1-5(15)9-13-10(16-14-9)6-2-7(11)4-8(12)3-6/h2-5,15H,1H3
InChIKeyMELYNVHEWBJIDG-UHFFFAOYSA-N
MW287.09 g/mol
LogP2.69
Rot. Bonds2

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

1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 102660777) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is 1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID102660777
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(-c2cc(F)cc(Br)c2)n1
InChIInChI=1S/C10H8BrFN2O2/c1-5(15)9-13-10(16-14-9)6-2-7(11)4-8(12)3-6/h2-5,15H,1H3
InChIKeyMELYNVHEWBJIDG-UHFFFAOYSA-N
XLogP2.69
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 55101961
5-(3-bromo-5-fluorophenyl)-3-(1-chloropropyl)-1,2,4-oxadiazole
CID 103095623
(1S)-1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66424909
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660677
1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660664
4-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751174
1-[5-(4-bromo-2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096353
3-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 66425897
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
1-[5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 107989163
(1S)-1-[2-(3-bromo-5-fluorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431635

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 102660777) is 1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol is CC(O)c1noc(-c2cc(F)cc(Br)c2)n1.
What is the InChIKey of 1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is MELYNVHEWBJIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c1-5(15)9-13-10(16-14-9)6-2-7(11)4-8(12)3-6/h2-5,15H,1H3.
What are the key properties of 1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 287.09 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 102660777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).