3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

C22H20N4O3S — CID 24731346

IUPAC3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C22H20N4O3S/c27-30(28,19-10-4-8-16-9-5-13-23-20(16)19)26-14-11-18(12-15-26)22-24-21(25-29-22)17-6-2-1-3-7-17/h1-10,13,18H,11-12,14-15H2
InChIKeyJOUOEVZMROKTRA-UHFFFAOYSA-N
MW420.49 g/mol
LogP3.85
Rot. Bonds4

About 3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole

3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 24731346) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is 3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID24731346
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC Name3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESO=S(=O)(c1cccc2cccnc12)N1CCC(c2nc(-c3ccccc3)no2)CC1
InChIInChI=1S/C22H20N4O3S/c27-30(28,19-10-4-8-16-9-5-13-23-20(16)19)26-14-11-18(12-15-26)22-24-21(25-29-22)17-6-2-1-3-7-17/h1-10,13,18H,11-12,14-15H2
InChIKeyJOUOEVZMROKTRA-UHFFFAOYSA-N
XLogP3.85
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 42761067
5-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 155942953
3-(4-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 3959570
8-(4-quinolin-8-ylsulfonylpiperazin-1-yl)sulfonylquinoline
CID 4173018
8-(4-pyrrol-1-ylpiperidin-1-yl)sulfonylquinoline
CID 2809715
5-[1-(4-nitrophenyl)sulfonylpiperidin-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 19324632
3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
CID 42761038
5-[1-(benzenesulfonyl)piperidin-4-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 5138460
8-piperidin-1-ylsulfonylquinoline
CID 768759
3-phenyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 24731349
8-[4-(pyridin-2-ylmethyl)piperidin-1-yl]sulfonylquinoline
CID 99816764
(3R)-1-quinolin-8-ylsulfonylpyrrolidin-3-amine
CID 119962398

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole (CID 24731346) is 3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole is O=S(=O)(c1cccc2cccnc12)N1CCC(c2nc(-c3ccccc3)no2)CC1.
What is the InChIKey of 3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is JOUOEVZMROKTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c27-30(28,19-10-4-8-16-9-5-13-23-20(16)19)26-14-11-18(12-15-26)22-24-21(25-29-22)17-6-2-1-3-7-17/h1-10,13,18H,11-12,14-15H2.
What are the key properties of 3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole?
3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 420.49 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 24731346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).