4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole

C23H26ClN3O4S — CID 53053502

IUPAC4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)oc2C)CC1
InChIInChI=1S/C23H26ClN3O4S/c1-16-4-6-18(7-5-16)23-25-20(17(2)31-23)15-26-10-12-27(13-11-26)32(28,29)22-14-19(24)8-9-21(22)30-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeySOFIKYLNQCFNJE-UHFFFAOYSA-N
MW476.00 g/mol
LogP4.13
Rot. Bonds6

About 4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole

4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole (PubChem CID 53053502) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
PubChem CID53053502
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)oc2C)CC1
InChIInChI=1S/C23H26ClN3O4S/c1-16-4-6-18(7-5-16)23-25-20(17(2)31-23)15-26-10-12-27(13-11-26)32(28,29)22-14-19(24)8-9-21(22)30-3/h4-9,14H,10-13,15H2,1-3H3
InChIKeySOFIKYLNQCFNJE-UHFFFAOYSA-N
XLogP4.13
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053481
4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53084876
2-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 110395649
2-(3-chlorophenyl)-4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084971
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330
2-(3-chlorophenyl)-4-[[4-(3-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084976
2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084970
2-(3-chlorophenyl)-4-[[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084974
4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 46352774
4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 53084890
N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 53053550
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
The IUPAC name of 4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole (CID 53053502) is 4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
The canonical SMILES for 4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole is COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)oc2C)CC1.
What is the InChIKey of 4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
The InChIKey is SOFIKYLNQCFNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-16-4-6-18(7-5-16)23-25-20(17(2)31-23)15-26-10-12-27(13-11-26)32(28,29)22-14-19(24)8-9-21(22)30-3/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole?
4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole has a molecular weight of 476.00 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole is sourced from PubChem (CID 53053502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).