3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole

C22H23ClF2N4O4S — CID 118384909

IUPAC3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)(c1cccc(Cl)c1)c1noc(N2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)n1
InChIInChI=1S/C22H23ClF2N4O4S/c1-22(2,15-4-3-5-16(23)14-15)19-26-21(33-27-19)28-10-12-29(13-11-28)34(30,31)18-8-6-17(7-9-18)32-20(24)25/h3-9,14,20H,10-13H2,1-2H3
InChIKeyDBXCFDYJEZEZFZ-UHFFFAOYSA-N
MW512.97 g/mol
LogP4.16
Rot. Bonds7

About 3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole

3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole (PubChem CID 118384909) has the molecular formula C22H23ClF2N4O4S and a molecular weight of 512.97 g/mol. Its IUPAC name is 3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
PubChem CID118384909
Molecular FormulaC22H23ClF2N4O4S
Molecular Weight512.97 g/mol
Exact Mass512.11
IUPAC Name3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
SMILESCC(C)(c1cccc(Cl)c1)c1noc(N2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)n1
InChIInChI=1S/C22H23ClF2N4O4S/c1-22(2,15-4-3-5-16(23)14-15)19-26-21(33-27-19)28-10-12-29(13-11-28)34(30,31)18-8-6-17(7-9-18)32-20(24)25/h3-9,14,20H,10-13H2,1-2H3
InChIKeyDBXCFDYJEZEZFZ-UHFFFAOYSA-N
XLogP4.16
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.97
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-tert-butyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385016
3-(chloromethyl)-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118385233
[5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazol-3-yl]methanol
CID 118384872
3-[(3-fluorophenyl)methyl]-5-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384861
3-[1-(4-chlorophenyl)cyclopropyl]-5-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384897
1-[5-(difluoromethoxy)-2-pyridinyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 133424223
1-[2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-[4-(difluoromethoxy)phenyl]sulfonylpiperazine
CID 46099201
1-[(2S)-2-[(3-chlorophenyl)methoxy]-2-(3-methoxyphenyl)ethyl]-4-[4-(difluoromethoxy)phenyl]sulfonylpiperazine
CID 98408283
3-cyclohexyl-5-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,2,4-oxadiazole
CID 118384865
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
5-(3-chlorophenyl)-3-[[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42692237
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-[4-(difluoromethoxy)phenyl]methanone
CID 27757610

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole (CID 118384909) is 3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole is CC(C)(c1cccc(Cl)c1)c1noc(N2CCN(S(=O)(=O)c3ccc(OC(F)F)cc3)CC2)n1.
What is the InChIKey of 3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
The InChIKey is DBXCFDYJEZEZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF2N4O4S/c1-22(2,15-4-3-5-16(23)14-15)19-26-21(33-27-19)28-10-12-29(13-11-28)34(30,31)18-8-6-17(7-9-18)32-20(24)25/h3-9,14,20H,10-13H2,1-2H3.
What are the key properties of 3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole?
3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole has a molecular weight of 512.97 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-chlorophenyl)propan-2-yl]-5-[4-[4-(difluoromethoxy)phenyl]sulfonylpiperazin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 118384909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).