5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole

C20H23N3O3S2 — CID 20936213

IUPAC5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)c1
InChIInChI=1S/C20H23N3O3S2/c1-14-4-5-15(2)17(12-14)22-8-10-23(11-9-22)28(24,25)20-7-6-19(27-20)18-13-16(3)21-26-18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyVKEJMUFNKPLMAX-UHFFFAOYSA-N
MW417.56 g/mol
LogP3.84
Rot. Bonds4

About 5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole

5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole (PubChem CID 20936213) has the molecular formula C20H23N3O3S2 and a molecular weight of 417.56 g/mol. Its IUPAC name is 5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
PubChem CID20936213
Molecular FormulaC20H23N3O3S2
Molecular Weight417.56 g/mol
Exact Mass417.12
IUPAC Name5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)c1
InChIInChI=1S/C20H23N3O3S2/c1-14-4-5-15(2)17(12-14)22-8-10-23(11-9-22)28(24,25)20-7-6-19(27-20)18-13-16(3)21-26-18/h4-7,12-13H,8-11H2,1-3H3
InChIKeyVKEJMUFNKPLMAX-UHFFFAOYSA-N
XLogP3.84
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.56
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3,5-Dimethyl-1,2-oxazol-4-yl)sulfonyl]-4-(2,5-dimethylphenyl)piperazine
CID 3579716
N-(2,5-Dimethylphenyl)-1-({3-methyl-5-[(1E)-2-(thiophen-2-YL)ethenyl]-1,2-oxazol-4-YL}sulfonyl)piperidine-4-carboxamide
CID 16007657
N~2~-ethyl-5-(3-methyl-5-isoxazolyl)-N~2~-phenyl-2-thiophenesulfonamide
CID 16024985
1-[4-(4-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazin-1-YL)phenyl]ethan-1-one
CID 16025009
N-(2-ethyl-6-methylphenyl)-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 16025015
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-methylphenyl)thiophene-2-sulfonamide
CID 16025017
2-Methyl-4-[2-methyl-5-(3-methyl-1,2-oxazol-5-YL)benzenesulfonyl]-1-(3-methylphenyl)piperazine
CID 20935756
1-Methyl-4-{[5-(3-methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20936233
1-{[5-(3-Methyl-1,2-oxazol-5-YL)thiophen-2-YL]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
CID 20936242
N-methyl-5-(3-methyl-1,2-oxazol-5-yl)-N-(4-methylphenyl)thiophene-2-sulfonamide
CID 20936282
N-(2-ethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936309
N-(3,4-dimethylphenyl)-N-methyl-5-(3-methyl-1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 20936311

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole (CID 20936213) is 5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole is Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)c1.
What is the InChIKey of 5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is VKEJMUFNKPLMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S2/c1-14-4-5-15(2)17(12-14)22-8-10-23(11-9-22)28(24,25)20-7-6-19(27-20)18-13-16(3)21-26-18/h4-7,12-13H,8-11H2,1-3H3.
What are the key properties of 5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole?
5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 417.56 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophen-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 20936213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).