5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole

C26H26N4O3S — CID 50842818

IUPAC5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccccc3-c3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C26H26N4O3S/c1-19-12-13-20(2)23(18-19)29-14-16-30(17-15-29)34(31,32)24-11-7-6-10-22(24)26-27-25(28-33-26)21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3
InChIKeyGVDCSRDGFFMSRX-UHFFFAOYSA-N
MW474.59 g/mol
LogP4.53
Rot. Bonds5

About 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole

5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 50842818) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID50842818
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1ccc(C)c(N2CCN(S(=O)(=O)c3ccccc3-c3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C26H26N4O3S/c1-19-12-13-20(2)23(18-19)29-14-16-30(17-15-29)34(31,32)24-11-7-6-10-22(24)26-27-25(28-33-26)21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3
InChIKeyGVDCSRDGFFMSRX-UHFFFAOYSA-N
XLogP4.53
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50841991
5-[2-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole
CID 50842971
furan-2-yl-[4-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]sulfonylpiperazin-1-yl]methanone
CID 46397260
5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50821719
5-[5-methyl-4-(4-phenylpiperazin-1-yl)sulfonylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822109
1-(8-chloronaphthalen-1-yl)sulfonyl-4-(2,5-dimethylphenyl)piperazine
CID 4678794
1-(2,5-dimethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine
CID 785540
1-(2,4-dimethylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 6465958
5-[4-(azepan-1-ylsulfonyl)-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822010
5-[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50822112
1-(2,5-dimethylphenyl)-4-(2-methoxy-4,5-dimethylphenyl)sulfonylpiperazine
CID 113075483
N-[(4-methylphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 46397233

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole (CID 50842818) is 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole is Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccccc3-c3nc(-c4ccccc4)no3)CC2)c1.
What is the InChIKey of 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is GVDCSRDGFFMSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-19-12-13-20(2)23(18-19)29-14-16-30(17-15-29)34(31,32)24-11-7-6-10-22(24)26-27-25(28-33-26)21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3.
What are the key properties of 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole?
5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 474.59 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 50842818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).