3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole

C23H25ClN4O4S — CID 118384897

IUPAC3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3nc(C4(c5ccc(Cl)cc5)CC4)no3)CC2)cc1
InChIInChI=1S/C23H25ClN4O4S/c1-2-31-19-7-9-20(10-8-19)33(29,30)28-15-13-27(14-16-28)22-25-21(26-32-22)23(11-12-23)17-3-5-18(24)6-4-17/h3-10H,2,11-16H2,1H3
InChIKeyDDYOGUWYDAWWBR-UHFFFAOYSA-N
MW489.00 g/mol
LogP3.71
Rot. Bonds7

About 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole

3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole (PubChem CID 118384897) has the molecular formula C23H25ClN4O4S and a molecular weight of 489.00 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
PubChem CID118384897
Molecular FormulaC23H25ClN4O4S
Molecular Weight489.00 g/mol
Exact Mass488.13
IUPAC Name3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
SMILESCCOc1ccc(S(=O)(=O)N2CCN(c3nc(C4(c5ccc(Cl)cc5)CC4)no3)CC2)cc1
InChIInChI=1S/C23H25ClN4O4S/c1-2-31-19-7-9-20(10-8-19)33(29,30)28-15-13-27(14-16-28)22-25-21(26-32-22)23(11-12-23)17-3-5-18(24)6-4-17/h3-10H,2,11-16H2,1H3
InChIKeyDDYOGUWYDAWWBR-UHFFFAOYSA-N
XLogP3.71
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.00
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole with MolForge

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Related Compounds

4-chloro-6-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]pyrimidin-2-amine
CID 31537662
1-(2-chlorophenyl)sulfonyl-4-(4-ethoxyphenyl)sulfonylpiperazine
CID 2525429
ethyl 5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole-3-carboxylate
CID 126664164
[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol
CID 118384872
3-(chloromethyl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385233
1-(4-chlorophenyl)-3-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2125400
3-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 55704533
1-(4-ethoxyphenyl)sulfonyl-4-(4-methoxyphenyl)piperazine
CID 1306330
(2S)-2-(4-chlorophenoxy)-1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 2664094
1-(4-ethoxyphenyl)sulfonyl-4-methylsulfonylpiperazine
CID 2448017
3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385016
6-chloro-1'-(4-ethoxyphenyl)sulfonylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108781880

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole (CID 118384897) is 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole is CCOc1ccc(S(=O)(=O)N2CCN(c3nc(C4(c5ccc(Cl)cc5)CC4)no3)CC2)cc1.
What is the InChIKey of 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The InChIKey is DDYOGUWYDAWWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4S/c1-2-31-19-7-9-20(10-8-19)33(29,30)28-15-13-27(14-16-28)22-25-21(26-32-22)23(11-12-23)17-3-5-18(24)6-4-17/h3-10H,2,11-16H2,1H3.
What are the key properties of 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole has a molecular weight of 489.00 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 118384897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).