5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C18H18N2O3S — CID 50819735

IUPAC5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3C)no2)c(C)c1
InChIInChI=1S/C18H18N2O3S/c1-12-8-9-16(14(3)10-12)24(21,22)11-17-19-18(20-23-17)15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3
InChIKeyCHACZGDAGHLHHM-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.64
Rot. Bonds4

About 5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 50819735) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID50819735
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3C)no2)c(C)c1
InChIInChI=1S/C18H18N2O3S/c1-12-8-9-16(14(3)10-12)24(21,22)11-17-19-18(20-23-17)15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3
InChIKeyCHACZGDAGHLHHM-UHFFFAOYSA-N
XLogP3.64
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-chlorophenyl)-5-[(2,4-dimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 30849069
3-(2-bromophenyl)-5-[(2,4,5-trimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 30849077
N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 17101265
1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 43358487
2,4-dimethoxy-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322786
2,4-dimethyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzenesulfonamide
CID 110322827
3-methyl-N-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
CID 6459787
2-chloro-N-[2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323716
5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 90642122
3-(2-methylphenyl)-5-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 53076988
3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63344942
4,5-dimethyl-2-[[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]phenol
CID 46443595

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 50819735) is 5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3C)no2)c(C)c1.
What is the InChIKey of 5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is CHACZGDAGHLHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-12-8-9-16(14(3)10-12)24(21,22)11-17-19-18(20-23-17)15-7-5-4-6-13(15)2/h4-10H,11H2,1-3H3.
What are the key properties of 5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 342.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dimethylphenyl)sulfonylmethyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 50819735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).