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

C9H6BrFN2O2 — CID 102660504

IUPAC[5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2cccc(F)c2Br)n1
InChIInChI=1S/C9H6BrFN2O2/c10-8-5(2-1-3-6(8)11)9-12-7(4-14)13-15-9/h1-3,14H,4H2
InChIKeyRUYWPPIOEICDRB-UHFFFAOYSA-N
MW273.06 g/mol
LogP2.13
Rot. Bonds2

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

[5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660504) has the molecular formula C9H6BrFN2O2 and a molecular weight of 273.06 g/mol. Its IUPAC name is [5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660504
Molecular FormulaC9H6BrFN2O2
Molecular Weight273.06 g/mol
Exact Mass271.96
IUPAC Name[5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(-c2cccc(F)c2Br)n1
InChIInChI=1S/C9H6BrFN2O2/c10-8-5(2-1-3-6(8)11)9-12-7(4-14)13-15-9/h1-3,14H,4H2
InChIKeyRUYWPPIOEICDRB-UHFFFAOYSA-N
XLogP2.13
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.06
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660255
[5-(2-bromofuran-3-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 106854843
[5-(2,6-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660381
[5-(2,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 90939332
[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660254
2-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-6-fluoroaniline
CID 81498941
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
3-(bromomethyl)-5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazole
CID 130536150
4-[[5-(2-amino-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 81498942
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62660245
5-(4-bromo-2-fluorophenyl)-3-(chloromethyl)-1,2,4-oxadiazole
CID 43120179
2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136789880

Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol (CID 102660504) is [5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(-c2cccc(F)c2Br)n1.
What is the InChIKey of [5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is RUYWPPIOEICDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O2/c10-8-5(2-1-3-6(8)11)9-12-7(4-14)13-15-9/h1-3,14H,4H2.
What are the key properties of [5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol?
[5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 273.06 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).