5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

C13H6FN3O2S — CID 136871100

IUPAC5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc(O)c(F)c3)no2)s1
InChIInChI=1S/C13H6FN3O2S/c14-9-5-7(1-3-10(9)18)12-16-13(19-17-12)11-4-2-8(6-15)20-11/h1-5,18H
InChIKeyWCKZEWZOKFQPID-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.18
Rot. Bonds2

About 5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile

5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (PubChem CID 136871100) has the molecular formula C13H6FN3O2S and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
PubChem CID136871100
Molecular FormulaC13H6FN3O2S
Molecular Weight287.28 g/mol
Exact Mass287.02
IUPAC Name5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccc(O)c(F)c3)no2)s1
InChIInChI=1S/C13H6FN3O2S/c14-9-5-7(1-3-10(9)18)12-16-13(19-17-12)11-4-2-8(6-15)20-11/h1-5,18H
InChIKeyWCKZEWZOKFQPID-UHFFFAOYSA-N
XLogP3.18
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile (CID 136871100) is 5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is N#Cc1ccc(-c2nc(-c3ccc(O)c(F)c3)no2)s1.
What is the InChIKey of 5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
The InChIKey is WCKZEWZOKFQPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6FN3O2S/c14-9-5-7(1-3-10(9)18)12-16-13(19-17-12)11-4-2-8(6-15)20-11/h1-5,18H.
What are the key properties of 5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile?
5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile has a molecular weight of 287.28 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-fluoro-4-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 136871100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).