4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol

C12H6BrFN2O2S — CID 136827589

IUPAC4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
SMILESOc1ccc(-c2nc(-c3cc(Br)cs3)no2)c(F)c1
InChIInChI=1S/C12H6BrFN2O2S/c13-6-3-10(19-5-6)11-15-12(18-16-11)8-2-1-7(17)4-9(8)14/h1-5,17H
InChIKeyLFZCIPNZQHNZFQ-UHFFFAOYSA-N
MW341.16 g/mol
LogP4.07
Rot. Bonds2

About 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol

4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol (PubChem CID 136827589) has the molecular formula C12H6BrFN2O2S and a molecular weight of 341.16 g/mol. Its IUPAC name is 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol.

Molecular Properties

Compound Name4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
PubChem CID136827589
Molecular FormulaC12H6BrFN2O2S
Molecular Weight341.16 g/mol
Exact Mass339.93
IUPAC Name4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
SMILESOc1ccc(-c2nc(-c3cc(Br)cs3)no2)c(F)c1
InChIInChI=1S/C12H6BrFN2O2S/c13-6-3-10(19-5-6)11-15-12(18-16-11)8-2-1-7(17)4-9(8)14/h1-5,17H
InChIKeyLFZCIPNZQHNZFQ-UHFFFAOYSA-N
XLogP4.07
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(5-bromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136871087
3-fluoro-4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 136827586
3-fluoro-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenol
CID 167906493
4-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136827936
3-fluoro-4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827642
3-fluoro-4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827573
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbenzonitrile
CID 103827462
3-fluoro-4-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 137015366
2-[2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-5-(2-fluorophenyl)-1,3,4-oxadiazole
CID 167955044
2-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3,6-dichloroaniline
CID 107050811
3-fluoro-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827628
3-(4-bromothiophen-2-yl)-5-(1,2,3,4-tetrahydroisoquinolin-5-yl)-1,2,4-oxadiazole
CID 104559114

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The IUPAC name of 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol (CID 136827589) is 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol.
What is the SMILES notation for 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The canonical SMILES for 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol is Oc1ccc(-c2nc(-c3cc(Br)cs3)no2)c(F)c1.
What is the InChIKey of 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
The InChIKey is LFZCIPNZQHNZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrFN2O2S/c13-6-3-10(19-5-6)11-15-12(18-16-11)8-2-1-7(17)4-9(8)14/h1-5,17H.
What are the key properties of 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol?
4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol has a molecular weight of 341.16 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol is sourced from PubChem (CID 136827589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).