5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole

C23H22N4O3S — CID 174413699

IUPAC5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccccc2N2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)no1
InChIInChI=1S/C23H22N4O3S/c1-17-24-23(25-30-17)20-10-4-5-11-21(20)26-13-15-27(16-14-26)31(28,29)22-12-6-8-18-7-2-3-9-19(18)22/h2-12H,13-16H2,1H3
InChIKeyYNZDMGUGNQQXKR-UHFFFAOYSA-N
MW434.52 g/mol
LogP3.71
Rot. Bonds4

About 5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole

5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 174413699) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole
PubChem CID174413699
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2ccccc2N2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)no1
InChIInChI=1S/C23H22N4O3S/c1-17-24-23(25-30-17)20-10-4-5-11-21(20)26-13-15-27(16-14-26)31(28,29)22-12-6-8-18-7-2-3-9-19(18)22/h2-12H,13-16H2,1H3
InChIKeyYNZDMGUGNQQXKR-UHFFFAOYSA-N
XLogP3.71
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-2-pyridinyl)-4-naphthalen-1-ylsulfonylpiperazine
CID 68550970
5-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylphenyl]-3-phenyl-1,2,4-oxadiazole
CID 50842818
2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)-1,3-thiazole
CID 58724183
1-naphthalen-1-ylsulfonylpiperazine
CID 42626101
4-[4-(2-methylphenyl)piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 6733568
4-(4,5-dimethylimidazol-1-yl)-6-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrimidine
CID 122345580
2-methyl-N-[3-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)pyrazin-2-yl]benzenesulfonamide
CID 155549386
5-[2-[4-(4-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50841991
4-methyl-1-(1-naphthalen-1-ylsulfonylpiperidin-4-yl)piperidine
CID 118314265
[3-[2-(4-methylpiperazin-1-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117436157
1-naphthalen-1-ylsulfonylazetidine-3-carboxylic acid
CID 114533548
5-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]sulfonyl-5-methylthiophen-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 50821719

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole (CID 174413699) is 5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2ccccc2N2CCN(S(=O)(=O)c3cccc4ccccc34)CC2)no1.
What is the InChIKey of 5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is YNZDMGUGNQQXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-17-24-23(25-30-17)20-10-4-5-11-21(20)26-13-15-27(16-14-26)31(28,29)22-12-6-8-18-7-2-3-9-19(18)22/h2-12H,13-16H2,1H3.
What are the key properties of 5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole?
5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 434.52 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[2-(4-naphthalen-1-ylsulfonylpiperazin-1-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 174413699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).