3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole

C17H23N3O3S — CID 9185372

IUPAC3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)on3)CC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-3-15-4-6-17(7-5-15)24(21,22)20-10-8-19(9-11-20)13-16-12-14(2)23-18-16/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyGQMNBAHRRRMMKG-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.05
Rot. Bonds5

About 3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole

3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 9185372) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID9185372
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
SMILESCCc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)on3)CC2)cc1
InChIInChI=1S/C17H23N3O3S/c1-3-15-4-6-17(7-5-15)24(21,22)20-10-8-19(9-11-20)13-16-12-14(2)23-18-16/h4-7,12H,3,8-11,13H2,1-2H3
InChIKeyGQMNBAHRRRMMKG-UHFFFAOYSA-N
XLogP2.05
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142403
3-[[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27639550
3-[[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 27635164
5-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydroindol-2-one
CID 110646443
5-methyl-3-[[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 26424144
1-(4-ethylphenyl)sulfonyl-4-[(3-methylphenyl)methyl]piperazine
CID 4994124
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 55412972
2-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 90571659
5-methyl-3-[[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methyl]-1,2-oxazole
CID 8841146
1-(4-ethylphenyl)sulfonyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazine
CID 22208397
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-one
CID 33339009
1-[(3-chloro-4-fluorophenyl)methyl]-4-(4-ethylphenyl)sulfonylpiperazine
CID 22208104

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole (CID 9185372) is 3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole is CCc1ccc(S(=O)(=O)N2CCN(Cc3cc(C)on3)CC2)cc1.
What is the InChIKey of 3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is GQMNBAHRRRMMKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-15-4-6-17(7-5-15)24(21,22)20-10-8-19(9-11-20)13-16-12-14(2)23-18-16/h4-7,12H,3,8-11,13H2,1-2H3.
What are the key properties of 3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole?
3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 349.46 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-ethylphenyl)sulfonylpiperazin-1-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 9185372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).