3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol

C11H6FN3O2S — CID 136872420

IUPAC3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3cscn3)no2)c(F)c1
InChIInChI=1S/C11H6FN3O2S/c12-8-3-6(16)1-2-7(8)11-14-10(15-17-11)9-4-18-5-13-9/h1-5,16H
InChIKeyAURMNBKRKDFMDN-UHFFFAOYSA-N
MW263.25 g/mol
LogP2.70
Rot. Bonds2

About 3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol

3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136872420) has the molecular formula C11H6FN3O2S and a molecular weight of 263.25 g/mol. Its IUPAC name is 3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136872420
Molecular FormulaC11H6FN3O2S
Molecular Weight263.25 g/mol
Exact Mass263.02
IUPAC Name3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(-c3cscn3)no2)c(F)c1
InChIInChI=1S/C11H6FN3O2S/c12-8-3-6(16)1-2-7(8)11-14-10(15-17-11)9-4-18-5-13-9/h1-5,16H
InChIKeyAURMNBKRKDFMDN-UHFFFAOYSA-N
XLogP2.70
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 136872420) is 3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(-c3cscn3)no2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is AURMNBKRKDFMDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6FN3O2S/c12-8-3-6(16)1-2-7(8)11-14-10(15-17-11)9-4-18-5-13-9/h1-5,16H.
What are the key properties of 3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol?
3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 263.25 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(1,3-thiazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136872420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).