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

C12H14N2O4S — CID 136751281

IUPAC2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(C(C)S(C)(=O)=O)no2)ccc1O
InChIInChI=1S/C12H14N2O4S/c1-7-6-9(4-5-10(7)15)12-13-11(14-18-12)8(2)19(3,16)17/h4-6,8,15H,1-3H3
InChIKeyZBOUWMHNRVGRCO-UHFFFAOYSA-N
MW282.32 g/mol
LogP1.86
Rot. Bonds3

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

2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136751281) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136751281
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESCc1cc(-c2nc(C(C)S(C)(=O)=O)no2)ccc1O
InChIInChI=1S/C12H14N2O4S/c1-7-6-9(4-5-10(7)15)12-13-11(14-18-12)8(2)19(3,16)17/h4-6,8,15H,1-3H3
InChIKeyZBOUWMHNRVGRCO-UHFFFAOYSA-N
XLogP1.86
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632658
2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136955102
4-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 136751285
4-methyl-3-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632637
5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790013
5-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811747
1-[5-(4-bromo-3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660664
2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751251
5-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 79605219
5-bromo-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 116632791
2-methyl-4-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136751064
2-methyl-4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136927432

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136751281) is 2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol is Cc1cc(-c2nc(C(C)S(C)(=O)=O)no2)ccc1O.
What is the InChIKey of 2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is ZBOUWMHNRVGRCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-7-6-9(4-5-10(7)15)12-13-11(14-18-12)8(2)19(3,16)17/h4-6,8,15H,1-3H3.
What are the key properties of 2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol?
2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 282.32 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136751281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).