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

C12H11FN2O2S — CID 136827660

IUPAC3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(C3CCCS3)no2)c(F)c1
InChIInChI=1S/C12H11FN2O2S/c13-9-6-7(16)3-4-8(9)12-14-11(15-17-12)10-2-1-5-18-10/h3-4,6,10,16H,1-2,5H2
InChIKeyOJGNOKKGFVDAED-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.15
Rot. Bonds2

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

3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136827660) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136827660
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1ccc(-c2nc(C3CCCS3)no2)c(F)c1
InChIInChI=1S/C12H11FN2O2S/c13-9-6-7(16)3-4-8(9)12-14-11(15-17-12)10-2-1-5-18-10/h3-4,6,10,16H,1-2,5H2
InChIKeyOJGNOKKGFVDAED-UHFFFAOYSA-N
XLogP3.15
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80621183
5-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107706860
4,5-difluoro-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80621095
3-fluoro-4-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827647
3-chloro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80621088
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]-5-(trifluoromethyl)aniline
CID 80620336
4-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904174
2-amino-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136872316
2-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]benzene-1,4-diol
CID 136904175
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789963
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789933
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(thiolan-2-yl)-1,2,4-oxadiazole
CID 103999553

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol (CID 136827660) is 3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is Oc1ccc(-c2nc(C3CCCS3)no2)c(F)c1.
What is the InChIKey of 3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is OJGNOKKGFVDAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-9-6-7(16)3-4-8(9)12-14-11(15-17-12)10-2-1-5-18-10/h3-4,6,10,16H,1-2,5H2.
What are the key properties of 3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol?
3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 266.30 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136827660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).