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

C11H11FN2O2S — CID 136964407

IUPAC2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
SMILESCCSCc1noc(-c2ccc(F)cc2O)n1
InChIInChI=1S/C11H11FN2O2S/c1-2-17-6-10-13-11(16-14-10)8-4-3-7(12)5-9(8)15/h3-5,15H,2,6H2,1H3
InChIKeyPTSSEDKNYJKWFQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.83
Rot. Bonds4

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

2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol (PubChem CID 136964407) has the molecular formula C11H11FN2O2S and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol.

Molecular Properties

Compound Name2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
PubChem CID136964407
Molecular FormulaC11H11FN2O2S
Molecular Weight254.29 g/mol
Exact Mass254.05
IUPAC Name2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
SMILESCCSCc1noc(-c2ccc(F)cc2O)n1
InChIInChI=1S/C11H11FN2O2S/c1-2-17-6-10-13-11(16-14-10)8-4-3-7(12)5-9(8)15/h3-5,15H,2,6H2,1H3
InChIKeyPTSSEDKNYJKWFQ-UHFFFAOYSA-N
XLogP2.83
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136789913
5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701059
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-3,5-difluoroaniline
CID 114217301
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136809747
4-bromo-2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 65131124
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
3-fluoro-4-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136827628
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-fluorophenol
CID 137011382
4-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136904121
5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789988
4-fluoro-2-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137011417
5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789957

Frequently Asked Questions

What is the IUPAC name of 2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol?
The IUPAC name of 2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol (CID 136964407) is 2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol.
What is the SMILES notation for 2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol?
The canonical SMILES for 2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol is CCSCc1noc(-c2ccc(F)cc2O)n1.
What is the InChIKey of 2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol?
The InChIKey is PTSSEDKNYJKWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O2S/c1-2-17-6-10-13-11(16-14-10)8-4-3-7(12)5-9(8)15/h3-5,15H,2,6H2,1H3.
What are the key properties of 2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol?
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol has a molecular weight of 254.29 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol is sourced from PubChem (CID 136964407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).