3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol

C12H7FN2O2S — CID 136967849

IUPAC3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1cccc(F)c1-c1nc(-c2cccs2)no1
InChIInChI=1S/C12H7FN2O2S/c13-7-3-1-4-8(16)10(7)12-14-11(15-17-12)9-5-2-6-18-9/h1-6,16H
InChIKeyJPSNDMIBWJSSDG-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.31
Rot. Bonds2

About 3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol

3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 136967849) has the molecular formula C12H7FN2O2S and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID136967849
Molecular FormulaC12H7FN2O2S
Molecular Weight262.26 g/mol
Exact Mass262.02
IUPAC Name3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESOc1cccc(F)c1-c1nc(-c2cccs2)no1
InChIInChI=1S/C12H7FN2O2S/c13-7-3-1-4-8(16)10(7)12-14-11(15-17-12)9-5-2-6-18-9/h1-6,16H
InChIKeyJPSNDMIBWJSSDG-UHFFFAOYSA-N
XLogP3.31
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-2-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789984
2-amino-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 137004902
2-amino-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 60837408
3-fluoro-2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790086
2-(3-ethyl-1,2,4-oxadiazol-5-yl)-3-fluorophenol
CID 136670660
2-[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670697
2-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-fluorophenol
CID 136670695
5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 99130250
2-fluoro-N-[4-methyl-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]benzamide
CID 39042306
5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)benzene-1,3-diamine
CID 107811588
2-(3-methyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813400
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol (CID 136967849) is 3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol is Oc1cccc(F)c1-c1nc(-c2cccs2)no1.
What is the InChIKey of 3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is JPSNDMIBWJSSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2O2S/c13-7-3-1-4-8(16)10(7)12-14-11(15-17-12)9-5-2-6-18-9/h1-6,16H.
What are the key properties of 3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol?
3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 262.26 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 136967849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).