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

C23H22N4O3S — CID 42761038

IUPAC3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CCCCN3S(=O)(=O)c3cccc4cccnc34)n2)c1
InChIInChI=1S/C23H22N4O3S/c1-16-7-4-9-18(15-16)22-25-23(30-26-22)19-11-2-3-14-27(19)31(28,29)20-12-5-8-17-10-6-13-24-21(17)20/h4-10,12-13,15,19H,2-3,11,14H2,1H3
InChIKeyDIPFRNQMZDOUEU-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.51
Rot. Bonds4

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

3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 42761038) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID42761038
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCc1cccc(-c2noc(C3CCCCN3S(=O)(=O)c3cccc4cccnc34)n2)c1
InChIInChI=1S/C23H22N4O3S/c1-16-7-4-9-18(15-16)22-25-23(30-26-22)19-11-2-3-14-27(19)31(28,29)20-12-5-8-17-10-6-13-24-21(17)20/h4-10,12-13,15,19H,2-3,11,14H2,1H3
InChIKeyDIPFRNQMZDOUEU-UHFFFAOYSA-N
XLogP4.51
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 3959570
3-(3-methylphenyl)-5-(1-methylsulfonylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 42765424
3-(3-methylphenyl)-5-[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 53206258
5-[(2S)-1-(4-chlorophenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 8795196
3-(3-methylphenyl)-5-[(2R)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95116774
5-[(2S)-1-(4-ethylphenyl)sulfonylpyrrolidin-2-yl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 95116778
3-(3-methylphenyl)-5-(1-octylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole
CID 3324124
5-[(2S)-1-(3-chloro-2-methylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 93071714
cyclopentyl-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 812405
3-(3-chlorophenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 42761067
5-[(2S)-1-(2,5-dimethylphenyl)sulfonylpyrrolidin-2-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 93071706
(2-chloro-3-pyridinyl)-[(2S)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 95116517

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole (CID 42761038) is 3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole is Cc1cccc(-c2noc(C3CCCCN3S(=O)(=O)c3cccc4cccnc34)n2)c1.
What is the InChIKey of 3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is DIPFRNQMZDOUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-16-7-4-9-18(15-16)22-25-23(30-26-22)19-11-2-3-14-27(19)31(28,29)20-12-5-8-17-10-6-13-24-21(17)20/h4-10,12-13,15,19H,2-3,11,14H2,1H3.
What are the key properties of 3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 434.52 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-5-(1-quinolin-8-ylsulfonylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 42761038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).