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

C25H26N4O4S — CID 16593438

IUPAC3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1noc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C25H26N4O4S/c1-2-32-23-10-6-5-9-22(23)25-26-24(33-27-25)18-28-13-15-29(16-14-28)34(30,31)21-12-11-19-7-3-4-8-20(19)17-21/h3-12,17H,2,13-16,18H2,1H3
InChIKeyCEPQWKVSBRQGNU-UHFFFAOYSA-N
MW478.57 g/mol
LogP3.80
Rot. Bonds7

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

3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 16593438) has the molecular formula C25H26N4O4S and a molecular weight of 478.57 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID16593438
Molecular FormulaC25H26N4O4S
Molecular Weight478.57 g/mol
Exact Mass478.17
IUPAC Name3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCCOc1ccccc1-c1noc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1
InChIInChI=1S/C25H26N4O4S/c1-2-32-23-10-6-5-9-22(23)25-26-24(33-27-25)18-28-13-15-29(16-14-28)34(30,31)21-12-11-19-7-3-4-8-20(19)17-21/h3-12,17H,2,13-16,18H2,1H3
InChIKeyCEPQWKVSBRQGNU-UHFFFAOYSA-N
XLogP3.80
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2-ethoxyphenyl)-1,2,4-oxadiazole
CID 29415351
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1150416
2-[4-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]phenol
CID 17440213
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 16595707
3-(2-methylphenyl)-5-[[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 31321073
1-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 55500458
5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 32873847
2-methyl-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8692277
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 17493708
3-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86901871
5-[[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 29115553
3-[[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 43038665

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 16593438) is 3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CCOc1ccccc1-c1noc(CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)n1.
What is the InChIKey of 3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is CEPQWKVSBRQGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4S/c1-2-32-23-10-6-5-9-22(23)25-26-24(33-27-25)18-28-13-15-29(16-14-28)34(30,31)21-12-11-19-7-3-4-8-20(19)17-21/h3-12,17H,2,13-16,18H2,1H3.
What are the key properties of 3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 478.57 g/mol, XLogP of 3.80, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-5-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 16593438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).