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

C11H11FN2O4S — CID 136790013

IUPAC5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC(c1noc(-c2ccc(F)cc2O)n1)S(C)(=O)=O
InChIInChI=1S/C11H11FN2O4S/c1-6(19(2,16)17)10-13-11(18-14-10)8-4-3-7(12)5-9(8)15/h3-6,15H,1-2H3
InChIKeyQJQQVYVWOYBLAM-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.69
Rot. Bonds3

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

5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136790013) has the molecular formula C11H11FN2O4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136790013
Molecular FormulaC11H11FN2O4S
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC(c1noc(-c2ccc(F)cc2O)n1)S(C)(=O)=O
InChIInChI=1S/C11H11FN2O4S/c1-6(19(2,16)17)10-13-11(18-14-10)8-4-3-7(12)5-9(8)15/h3-6,15H,1-2H3
InChIKeyQJQQVYVWOYBLAM-UHFFFAOYSA-N
XLogP1.69
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136955102
4-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632760
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660677
2-[3-(1-ethoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136790025
2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751281
5-bromo-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632791
4-methyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632637
1-[5-(4-fluoro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660611
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136809747
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324177
3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 102661245

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136790013) is 5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol is CC(c1noc(-c2ccc(F)cc2O)n1)S(C)(=O)=O.
What is the InChIKey of 5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is QJQQVYVWOYBLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4S/c1-6(19(2,16)17)10-13-11(18-14-10)8-4-3-7(12)5-9(8)15/h3-6,15H,1-2H3.
What are the key properties of 5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 286.28 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136790013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).