2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole

C16H22N4O3S — CID 110658538

IUPAC2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCCS(=O)(=O)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H22N4O3S/c1-2-24(21,22)20-12-10-19(11-13-20)9-8-15-17-18-16(23-15)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyFGKXOSFWMIDVMI-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.25
Rot. Bonds6

About 2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole

2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 110658538) has the molecular formula C16H22N4O3S and a molecular weight of 350.44 g/mol. Its IUPAC name is 2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID110658538
Molecular FormulaC16H22N4O3S
Molecular Weight350.44 g/mol
Exact Mass350.14
IUPAC Name2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCCS(=O)(=O)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H22N4O3S/c1-2-24(21,22)20-12-10-19(11-13-20)9-8-15-17-18-16(23-15)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3
InChIKeyFGKXOSFWMIDVMI-UHFFFAOYSA-N
XLogP1.25
TPSA79.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658537
1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658437
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
2-[2-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658604
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one
CID 110658447
2-[2-[4-(3-chloro-4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658572
2-[2-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658558
2-methyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658439
phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658449
phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110658516
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole (CID 110658538) is 2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole is CCS(=O)(=O)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is FGKXOSFWMIDVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3S/c1-2-24(21,22)20-12-10-19(11-13-20)9-8-15-17-18-16(23-15)14-6-4-3-5-7-14/h3-7H,2,8-13H2,1H3.
What are the key properties of 2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 350.44 g/mol, XLogP of 1.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 110658538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).