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

C11H12N2O4S — CID 136955102

IUPAC2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC(c1noc(-c2ccccc2O)n1)S(C)(=O)=O
InChIInChI=1S/C11H12N2O4S/c1-7(18(2,15)16)10-12-11(17-13-10)8-5-3-4-6-9(8)14/h3-7,14H,1-2H3
InChIKeyOKDFHXIJXHWKBK-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.55
Rot. Bonds3

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

2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136955102) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136955102
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCC(c1noc(-c2ccccc2O)n1)S(C)(=O)=O
InChIInChI=1S/C11H12N2O4S/c1-7(18(2,15)16)10-12-11(17-13-10)8-5-3-4-6-9(8)14/h3-7,14H,1-2H3
InChIKeyOKDFHXIJXHWKBK-UHFFFAOYSA-N
XLogP1.55
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790013
2-[3-(1-aminoethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 137002843
2-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136965239
2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751281
1-[5-(2-ethylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660556
4-methyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632637
4-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632760
5-bromo-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632791
N-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632658
1-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660763
2-(3-methyl-1,2,4-oxadiazol-5-yl)phenol;zinc
CID 135979761
1-[5-(2-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 137002833

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136955102) is 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol is CC(c1noc(-c2ccccc2O)n1)S(C)(=O)=O.
What is the InChIKey of 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is OKDFHXIJXHWKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-7(18(2,15)16)10-12-11(17-13-10)8-5-3-4-6-9(8)14/h3-7,14H,1-2H3.
What are the key properties of 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 268.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136955102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).