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

C19H26N4O4S — CID 22577768

IUPAC4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
SMILESCCS(=O)(=O)N1CCN(Cc2nc(-c3ccc(C(=O)NC)cc3)oc2C)CC1
InChIInChI=1S/C19H26N4O4S/c1-4-28(25,26)23-11-9-22(10-12-23)13-17-14(2)27-19(21-17)16-7-5-15(6-8-16)18(24)20-3/h5-8H,4,9-13H2,1-3H3,(H,20,24)
InChIKeyDGNHEMBKTPSEQQ-UHFFFAOYSA-N
MW406.51 g/mol
LogP1.48
Rot. Bonds6

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

4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide (PubChem CID 22577768) has the molecular formula C19H26N4O4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
PubChem CID22577768
Molecular FormulaC19H26N4O4S
Molecular Weight406.51 g/mol
Exact Mass406.17
IUPAC Name4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
SMILESCCS(=O)(=O)N1CCN(Cc2nc(-c3ccc(C(=O)NC)cc3)oc2C)CC1
InChIInChI=1S/C19H26N4O4S/c1-4-28(25,26)23-11-9-22(10-12-23)13-17-14(2)27-19(21-17)16-7-5-15(6-8-16)18(24)20-3/h5-8H,4,9-13H2,1-3H3,(H,20,24)
InChIKeyDGNHEMBKTPSEQQ-UHFFFAOYSA-N
XLogP1.48
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.51
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-4-[5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577767
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-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 46352774
N-methyl-4-[5-methyl-4-[(4-phenylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzamide
CID 22577703
N-(2,3-dimethylphenyl)-4-[[5-methyl-2-[4-(methylcarbamoyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955645
5-methyl-4-[(4-pentylsulfonylpiperazin-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 86936902
ethyl 4-[[2-(4-methoxycarbonylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxylate
CID 28872252
2-(4-methoxyphenyl)-5-methyl-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
CID 53004330
4-[4-(benzenesulfonylmethyl)-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide
CID 20917014
5-methyl-4-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-2-phenyl-1,3-oxazole
CID 52675581
4-[5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-2-yl]benzoic acid
CID 20955738
4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
The IUPAC name of 4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide (CID 22577768) is 4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
The canonical SMILES for 4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide is CCS(=O)(=O)N1CCN(Cc2nc(-c3ccc(C(=O)NC)cc3)oc2C)CC1.
What is the InChIKey of 4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
The InChIKey is DGNHEMBKTPSEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4S/c1-4-28(25,26)23-11-9-22(10-12-23)13-17-14(2)27-19(21-17)16-7-5-15(6-8-16)18(24)20-3/h5-8H,4,9-13H2,1-3H3,(H,20,24).
What are the key properties of 4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide?
4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide has a molecular weight of 406.51 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-ethylsulfonylpiperazin-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]-N-methylbenzamide is sourced from PubChem (CID 22577768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).