4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide

C25H30N4O4S — CID 46352774

IUPAC4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)c(C)o2)cc1
InChIInChI=1S/C25H30N4O4S/c1-17-5-10-23(18(2)15-17)34(31,32)29-13-11-28(12-14-29)16-22-19(3)33-25(27-22)21-8-6-20(7-9-21)24(30)26-4/h5-10,15H,11-14,16H2,1-4H3,(H,26,30)
InChIKeyVPUNIUIPHCUINW-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.13
Rot. Bonds6

About 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide

4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide (PubChem CID 46352774) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
PubChem CID46352774
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)c(C)o2)cc1
InChIInChI=1S/C25H30N4O4S/c1-17-5-10-23(18(2)15-17)34(31,32)29-13-11-28(12-14-29)16-22-19(3)33-25(27-22)21-8-6-20(7-9-21)24(30)26-4/h5-10,15H,11-14,16H2,1-4H3,(H,26,30)
InChIKeyVPUNIUIPHCUINW-UHFFFAOYSA-N
XLogP3.13
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide with MolForge

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Related Compounds

N-methyl-4-[5-methyl-4-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazol-2-yl]benzamide
CID 46352771
4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 22577768
N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577767
N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 53053550
4-[[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053502
4-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53084876
N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955645
4-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053481
1-(2,4-dimethylphenyl)sulfonyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 24687024
(4-methoxyphenyl)-[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]methanone
CID 50762202
N-methyl-4-[5-methyl-4-[(4-methylphenoxy)methyl]-1,3-oxazol-2-yl]benzamide
CID 20916670
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide (CID 46352774) is 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide is CNC(=O)c1ccc(-c2nc(CN3CCN(S(=O)(=O)c4ccc(C)cc4C)CC3)c(C)o2)cc1.
What is the InChIKey of 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
The InChIKey is VPUNIUIPHCUINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-17-5-10-23(18(2)15-17)34(31,32)29-13-11-28(12-14-29)16-22-19(3)33-25(27-22)21-8-6-20(7-9-21)24(30)26-4/h5-10,15H,11-14,16H2,1-4H3,(H,26,30).
What are the key properties of 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide has a molecular weight of 482.61 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 46352774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).