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

C23H24FN3O4S — CID 55605219

IUPAC[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccc(F)cc4)noc3C)CC2)c(C)c1
InChIInChI=1S/C23H24FN3O4S/c1-15-4-9-20(16(2)14-15)32(29,30)27-12-10-26(11-13-27)23(28)21-17(3)31-25-22(21)18-5-7-19(24)8-6-18/h4-9,14H,10-13H2,1-3H3
InChIKeyCXKJCUASJOXDHB-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.55
Rot. Bonds4

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

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone (PubChem CID 55605219) has the molecular formula C23H24FN3O4S and a molecular weight of 457.53 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
PubChem CID55605219
Molecular FormulaC23H24FN3O4S
Molecular Weight457.53 g/mol
Exact Mass457.15
IUPAC Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccc(F)cc4)noc3C)CC2)c(C)c1
InChIInChI=1S/C23H24FN3O4S/c1-15-4-9-20(16(2)14-15)32(29,30)27-12-10-26(11-13-27)23(28)21-17(3)31-25-22(21)18-5-7-19(24)8-6-18/h4-9,14H,10-13H2,1-3H3
InChIKeyCXKJCUASJOXDHB-UHFFFAOYSA-N
XLogP3.55
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110646737
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
CID 24980622
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 4807276
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38408302
[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 26204353
4-(2,4-dimethylphenyl)sulfonyl-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 9207906
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 27231569
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8638640
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]methanone
CID 4793470
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 55755215
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazol-4-yl)methanone
CID 78903914
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 38033394

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone (CID 55605219) is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(-c4ccc(F)cc4)noc3C)CC2)c(C)c1.
What is the InChIKey of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
The InChIKey is CXKJCUASJOXDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4S/c1-15-4-9-20(16(2)14-15)32(29,30)27-12-10-26(11-13-27)23(28)21-17(3)31-25-22(21)18-5-7-19(24)8-6-18/h4-9,14H,10-13H2,1-3H3.
What are the key properties of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone?
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone has a molecular weight of 457.53 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone is sourced from PubChem (CID 55605219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).