3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole

C18H16F2N4O3S — CID 133481509

IUPAC3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H16F2N4O3S/c19-14-7-4-8-15(20)16(14)28(25,26)24-11-9-23(10-12-24)18-21-17(27-22-18)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyQTUPTMREWMPDQR-UHFFFAOYSA-N
MW406.41 g/mol
LogP2.53
Rot. Bonds4

About 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole

3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 133481509) has the molecular formula C18H16F2N4O3S and a molecular weight of 406.41 g/mol. Its IUPAC name is 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
PubChem CID133481509
Molecular FormulaC18H16F2N4O3S
Molecular Weight406.41 g/mol
Exact Mass406.09
IUPAC Name3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
SMILESO=S(=O)(c1c(F)cccc1F)N1CCN(c2noc(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H16F2N4O3S/c19-14-7-4-8-15(20)16(14)28(25,26)24-11-9-23(10-12-24)18-21-17(27-22-18)13-5-2-1-3-6-13/h1-8H,9-12H2
InChIKeyQTUPTMREWMPDQR-UHFFFAOYSA-N
XLogP2.53
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]sulfonylbenzonitrile
CID 133481529
2-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-3-phenylquinoxaline
CID 46093769
5-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 155942953
1-adamantyl-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]methanone
CID 133481703
(3aS,5R,6R,7aR)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-5,6-diol
CID 133112625
5-phenyl-3-(4-pyridazin-3-ylpiperazin-1-yl)-1,2,4-oxadiazole
CID 133482718
(4-fluorophenyl)-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)-1,4-diazepan-1-yl]methanone
CID 133481811
4-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-6-methyl-2-piperidin-1-ylpyrimidine
CID 122339868
1-[4-(5-phenyl-1,2,4-oxadiazol-3-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133482892
3-[4-(3-methylbutyl)piperazin-1-yl]-5-phenyl-1,2,4-oxadiazole
CID 133482061
1-(3-chlorophenyl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 3846260
3-fluoro-2-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 116807548

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole (CID 133481509) is 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole is O=S(=O)(c1c(F)cccc1F)N1CCN(c2noc(-c3ccccc3)n2)CC1.
What is the InChIKey of 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is QTUPTMREWMPDQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N4O3S/c19-14-7-4-8-15(20)16(14)28(25,26)24-11-9-23(10-12-24)18-21-17(27-22-18)13-5-2-1-3-6-13/h1-8H,9-12H2.
What are the key properties of 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole?
3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 406.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 133481509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).