1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone

C20H25F3N4O4S — CID 24664953

IUPAC1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H25F3N4O4S/c1-14-19(15(2)31-24-14)32(29,30)27-10-8-26(9-11-27)18(28)13-25(3)12-16-6-4-5-7-17(16)20(21,22)23/h4-7H,8-13H2,1-3H3
InChIKeyNTENVFWGTAWCHW-UHFFFAOYSA-N
MW474.51 g/mol
LogP2.28
Rot. Bonds6

About 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone (PubChem CID 24664953) has the molecular formula C20H25F3N4O4S and a molecular weight of 474.51 g/mol. Its IUPAC name is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone.

Molecular Properties

Compound Name1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
PubChem CID24664953
Molecular FormulaC20H25F3N4O4S
Molecular Weight474.51 g/mol
Exact Mass474.15
IUPAC Name1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)Cc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C20H25F3N4O4S/c1-14-19(15(2)31-24-14)32(29,30)27-10-8-26(9-11-27)18(28)13-25(3)12-16-6-4-5-7-17(16)20(21,22)23/h4-7H,8-13H2,1-3H3
InChIKeyNTENVFWGTAWCHW-UHFFFAOYSA-N
XLogP2.28
TPSA86.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylpiperazin-1-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone
CID 171907358
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 55682223
2-(1,2-benzoxazol-3-yl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 9151385
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 9150948
2-(2,3-dihydro-1-benzofuran-5-yl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 55498805
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one
CID 17455988
1-(4-methylpiperazin-1-yl)-3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-1-one
CID 99788111
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(2-fluorophenyl)methyl-methylamino]ethanone
CID 4824777
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 18121547
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
CID 9151130
N-[4-[2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-oxoethyl]phenyl]acetamide
CID 9151335

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone?
The IUPAC name of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone (CID 24664953) is 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone.
What is the SMILES notation for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone?
The canonical SMILES for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)Cc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone?
The InChIKey is NTENVFWGTAWCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O4S/c1-14-19(15(2)31-24-14)32(29,30)27-10-8-26(9-11-27)18(28)13-25(3)12-16-6-4-5-7-17(16)20(21,22)23/h4-7H,8-13H2,1-3H3.
What are the key properties of 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone?
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone has a molecular weight of 474.51 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]ethanone is sourced from PubChem (CID 24664953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).