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

C19H25N3O4S — CID 24980622

IUPAC[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H25N3O4S/c1-5-16-18(15(4)26-20-16)19(23)21-8-10-22(11-9-21)27(24,25)17-7-6-13(2)12-14(17)3/h6-7,12H,5,8-11H2,1-4H3
InChIKeyCNONSKDVZCFUIT-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.31
Rot. Bonds4

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

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (PubChem CID 24980622) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
PubChem CID24980622
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone
SMILESCCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1
InChIInChI=1S/C19H25N3O4S/c1-5-16-18(15(4)26-20-16)19(23)21-8-10-22(11-9-21)27(24,25)17-7-6-13(2)12-14(17)3/h6-7,12H,5,8-11H2,1-4H3
InChIKeyCNONSKDVZCFUIT-UHFFFAOYSA-N
XLogP2.31
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methanone
CID 55605219
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methanone
CID 9378872
(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-(4-methylphenyl)-1,2-oxazol-5-yl]methanone
CID 38408302
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 55623649
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8638640
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 27231569
1-(2,4-dimethylphenyl)sulfonyl-4-ethylsulfonylpiperazine
CID 78788595
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(2,5-dimethylthiophen-3-yl)methanone
CID 17470269
methyl 4-(2,4-dimethylphenyl)sulfonylpiperazine-1-carboxylate
CID 110818495
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 55929335
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-naphthalen-1-ylmethanone
CID 4807376

Frequently Asked Questions

What is the IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone (CID 24980622) is [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is CCc1noc(C)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2C)CC1.
What is the InChIKey of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
The InChIKey is CNONSKDVZCFUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-5-16-18(15(4)26-20-16)19(23)21-8-10-22(11-9-21)27(24,25)17-7-6-13(2)12-14(17)3/h6-7,12H,5,8-11H2,1-4H3.
What are the key properties of [4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone?
[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-(3-ethyl-5-methyl-1,2-oxazol-4-yl)methanone has a molecular weight of 391.49 g/mol, XLogP of 2.31, 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-ethyl-5-methyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 24980622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).