4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine

C21H23N3O6S — CID 53098016

IUPAC4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
SMILESCOc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1OC
InChIInChI=1S/C21H23N3O6S/c1-14-4-5-16(13-19(14)31(25,26)24-8-10-29-11-9-24)21-23-22-20(30-21)15-6-7-17(27-2)18(12-15)28-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyIQJMJWFCOUXIBO-UHFFFAOYSA-N
MW445.50 g/mol
LogP2.75
Rot. Bonds6

About 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine

4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine (PubChem CID 53098016) has the molecular formula C21H23N3O6S and a molecular weight of 445.50 g/mol. Its IUPAC name is 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
PubChem CID53098016
Molecular FormulaC21H23N3O6S
Molecular Weight445.50 g/mol
Exact Mass445.13
IUPAC Name4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine
SMILESCOc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1OC
InChIInChI=1S/C21H23N3O6S/c1-14-4-5-16(13-19(14)31(25,26)24-8-10-29-11-9-24)21-23-22-20(30-21)15-6-7-17(27-2)18(12-15)28-3/h4-7,12-13H,8-11H2,1-3H3
InChIKeyIQJMJWFCOUXIBO-UHFFFAOYSA-N
XLogP2.75
TPSA103.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-5-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 53098024
2-[4-methyl-3-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 53098002
2-(2-chlorophenyl)-5-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole
CID 53097974
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1-hydroxy-2-methylpropan-2-yl)-2-methylbenzenesulfonamide
CID 53098152
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
4-[2-[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)pyrazol-1-yl]ethyl]morpholine
CID 171431398
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
4-[3-[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]phenyl]sulfonylmorpholine
CID 162646279
[3-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]-piperidin-1-ylmethanone
CID 53205049
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512

Frequently Asked Questions

What is the IUPAC name of 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine?
The IUPAC name of 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine (CID 53098016) is 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine.
What is the SMILES notation for 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine?
The canonical SMILES for 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine is COc1ccc(-c2nnc(-c3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)o2)cc1OC.
What is the InChIKey of 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine?
The InChIKey is IQJMJWFCOUXIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S/c1-14-4-5-16(13-19(14)31(25,26)24-8-10-29-11-9-24)21-23-22-20(30-21)15-6-7-17(27-2)18(12-15)28-3/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine?
4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine has a molecular weight of 445.50 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylphenyl]sulfonylmorpholine is sourced from PubChem (CID 53098016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).