5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole

C23H27N3O3S — CID 8748084

IUPAC5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c(C)c1
InChIInChI=1S/C23H27N3O3S/c1-17-13-18(2)23(19(3)14-17)30(27,28)26-11-9-25(10-12-26)16-22-24-15-21(29-22)20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3
InChIKeyHMJRBNBCGVIFPH-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.77
Rot. Bonds5

About 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole

5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole (PubChem CID 8748084) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
PubChem CID8748084
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC Name5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
SMILESCc1cc(C)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c(C)c1
InChIInChI=1S/C23H27N3O3S/c1-17-13-18(2)23(19(3)14-17)30(27,28)26-11-9-25(10-12-26)16-22-24-15-21(29-22)20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3
InChIKeyHMJRBNBCGVIFPH-UHFFFAOYSA-N
XLogP3.77
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(4-fluorophenyl)-1,3-oxazole
CID 9036895
4-[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]sulfonyl-3,5-dimethyl-1,2-oxazole
CID 26432406
5-(3-chlorophenyl)-2-[[4-(4-methylpiperazin-1-yl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole
CID 60500597
3-propyl-5-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 18167572
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-5-(4-chlorophenyl)-1,3-oxazole
CID 17488115
5-[[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120903258
4-hydroxy-1-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 167922914
2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-N-propylacetamide
CID 18088526
(3-methyloxetan-3-yl)-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]methanone
CID 127810988
1-(2-methylsulfonylethyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 95753283
5-phenyl-2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 18167942
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole?
The IUPAC name of 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole (CID 8748084) is 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole is Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ncc(-c4ccccc4)o3)CC2)c(C)c1.
What is the InChIKey of 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole?
The InChIKey is HMJRBNBCGVIFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-17-13-18(2)23(19(3)14-17)30(27,28)26-11-9-25(10-12-26)16-22-24-15-21(29-22)20-7-5-4-6-8-20/h4-8,13-15H,9-12,16H2,1-3H3.
What are the key properties of 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole?
5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole has a molecular weight of 425.55 g/mol, XLogP of 3.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-[[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 8748084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).