3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole

C15H19N3O3S — CID 167890240

IUPAC3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-15(12(2)21-17-11)13-3-5-14(6-4-13)22(19,20)18-9-7-16-8-10-18/h3-6,16H,7-10H2,1-2H3
InChIKeyXVPACFKDLQYFLH-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.55
Rot. Bonds3

About 3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole

3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole (PubChem CID 167890240) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole
PubChem CID167890240
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc(S(=O)(=O)N2CCNCC2)cc1
InChIInChI=1S/C15H19N3O3S/c1-11-15(12(2)21-17-11)13-3-5-14(6-4-13)22(19,20)18-9-7-16-8-10-18/h3-6,16H,7-10H2,1-2H3
InChIKeyXVPACFKDLQYFLH-UHFFFAOYSA-N
XLogP1.55
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
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4-(4-methylphenyl)sulfonyl-1,4,7-oxadiazonane
CID 11098087
4,7,10,19-tetrakis-(4-methylphenyl)sulfonyl-1,13-dioxa-4,7,10,16,19,22-hexazacyclotetracosane
CID 15094039
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]sulfonylmorpholine
CID 53054322
4-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 5013931
4-[4-(benzenesulfonyl)piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26545041
1-(4-phenylphenyl)sulfonyl-1,4-diazepane
CID 119963549
3,5-dimethyl-4-(4-methylphenyl)-1,2-oxazole;ethane
CID 142046789
1-(4-piperazin-1-ylsulfonylphenyl)ethanone
CID 2125328
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8638751
4,12-bis-(4-methylphenyl)sulfonyl-1-oxa-4,8,12-triazacyclotetradecane
CID 10839404
5-methyl-1-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 82247239

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole (CID 167890240) is 3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole is Cc1noc(C)c1-c1ccc(S(=O)(=O)N2CCNCC2)cc1.
What is the InChIKey of 3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole?
The InChIKey is XVPACFKDLQYFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-15(12(2)21-17-11)13-3-5-14(6-4-13)22(19,20)18-9-7-16-8-10-18/h3-6,16H,7-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole?
3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole has a molecular weight of 321.40 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-piperazin-1-ylsulfonylphenyl)-1,2-oxazole is sourced from PubChem (CID 167890240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).