N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide

C24H28N4O4S — CID 53053550

IUPACN-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2nc(-c3ccccc3)oc2C)CC1
InChIInChI=1S/C24H28N4O4S/c1-17-9-10-21(25-19(3)29)23(15-17)33(30,31)28-13-11-27(12-14-28)16-22-18(2)32-24(26-22)20-7-5-4-6-8-20/h4-10,15H,11-14,16H2,1-3H3,(H,25,29)
InChIKeyMCBSMBWHJVUGQQ-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.42
Rot. Bonds6

About N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide

N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide (PubChem CID 53053550) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
PubChem CID53053550
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2nc(-c3ccccc3)oc2C)CC1
InChIInChI=1S/C24H28N4O4S/c1-17-9-10-21(25-19(3)29)23(15-17)33(30,31)28-13-11-27(12-14-28)16-22-18(2)32-24(26-22)20-7-5-4-6-8-20/h4-10,15H,11-14,16H2,1-3H3,(H,25,29)
InChIKeyMCBSMBWHJVUGQQ-UHFFFAOYSA-N
XLogP3.42
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 46352774
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 52675581
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-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-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-2-(4-methylphenyl)-1,3-oxazole
CID 53053481
5-methyl-4-[(4-pentylsulfonylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 86936902
N-(4-methyl-2-piperidin-1-ylsulfonylphenyl)acetamide
CID 35203349
4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540
2-(3-chlorophenyl)-4-[[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084971
2-(3-chlorophenyl)-4-[[4-(5-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 53084970
4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 22577768

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide (CID 53053550) is N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(C)cc1S(=O)(=O)N1CCN(Cc2nc(-c3ccccc3)oc2C)CC1.
What is the InChIKey of N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is MCBSMBWHJVUGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17-9-10-21(25-19(3)29)23(15-17)33(30,31)28-13-11-27(12-14-28)16-22-18(2)32-24(26-22)20-7-5-4-6-8-20/h4-10,15H,11-14,16H2,1-3H3,(H,25,29).
What are the key properties of N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide?
N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 468.58 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 53053550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).