3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole

C23H22N2O5S — CID 53077236

IUPAC3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)c3cc(C)c(C)cc3C)o2)n1
InChIInChI=1S/C23H22N2O5S/c1-14-11-16(3)21(12-15(14)2)31(26,27)13-17-9-10-20(29-17)23-24-22(25-30-23)18-7-5-6-8-19(18)28-4/h5-12H,13H2,1-4H3
InChIKeyIYUHSCUOTOQOPO-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.90
Rot. Bonds6

About 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole

3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole (PubChem CID 53077236) has the molecular formula C23H22N2O5S and a molecular weight of 438.51 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
PubChem CID53077236
Molecular FormulaC23H22N2O5S
Molecular Weight438.51 g/mol
Exact Mass438.12
IUPAC Name3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
SMILESCOc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)c3cc(C)c(C)cc3C)o2)n1
InChIInChI=1S/C23H22N2O5S/c1-14-11-16(3)21(12-15(14)2)31(26,27)13-17-9-10-20(29-17)23-24-22(25-30-23)18-7-5-6-8-19(18)28-4/h5-12H,13H2,1-4H3
InChIKeyIYUHSCUOTOQOPO-UHFFFAOYSA-N
XLogP4.90
TPSA95.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(3,4,5-trimethoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 53077233
3-(4-ethoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 53077132
3-(2-methylphenyl)-5-[5-[(4-methylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 53076988
5-[5-(benzenesulfonylmethyl)furan-2-yl]-3-(2-chlorophenyl)-1,2,4-oxadiazole
CID 53076973
5-[5-[(4-methoxyphenyl)sulfonylmethyl]furan-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53077033
3-(2-bromophenyl)-5-[(2,4,5-trimethylphenyl)sulfonylmethyl]-1,2,4-oxadiazole
CID 30849077
5-[5-[(2,4-dimethylphenyl)sulfonylmethyl]furan-2-yl]-3-(4-methylsulfanylphenyl)-1,2,4-oxadiazole
CID 53077096
5-[5-[(3,4-dimethoxyphenyl)sulfonylmethyl]furan-2-yl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 53077015
3-(4-bromophenyl)-5-[5-[(3,4-dimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole
CID 53077064
5-[5-[(2-chlorophenyl)methylsulfanylmethyl]furan-2-yl]-3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazole
CID 46329459
5-[3-methoxy-4-(2-methylphenyl)phenyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 25256566
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole (CID 53077236) is 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole is COc1ccccc1-c1noc(-c2ccc(CS(=O)(=O)c3cc(C)c(C)cc3C)o2)n1.
What is the InChIKey of 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole?
The InChIKey is IYUHSCUOTOQOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O5S/c1-14-11-16(3)21(12-15(14)2)31(26,27)13-17-9-10-20(29-17)23-24-22(25-30-23)18-7-5-6-8-19(18)28-4/h5-12H,13H2,1-4H3.
What are the key properties of 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole?
3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole has a molecular weight of 438.51 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-[5-[(2,4,5-trimethylphenyl)sulfonylmethyl]furan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53077236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).