5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

C22H24FN3O3S — CID 90642122

IUPAC5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(CC2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1
InChIInChI=1S/C22H24FN3O3S/c1-15-6-3-4-8-19(15)22-24-21(29-25-22)13-17-7-5-11-26(14-17)30(27,28)20-10-9-18(23)12-16(20)2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3
InChIKeyPJFIOBBBAJVOEP-UHFFFAOYSA-N
MW429.52 g/mol
LogP4.14
Rot. Bonds5

About 5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole

5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (PubChem CID 90642122) has the molecular formula C22H24FN3O3S and a molecular weight of 429.52 g/mol. Its IUPAC name is 5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
PubChem CID90642122
Molecular FormulaC22H24FN3O3S
Molecular Weight429.52 g/mol
Exact Mass429.15
IUPAC Name5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccccc1-c1noc(CC2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1
InChIInChI=1S/C22H24FN3O3S/c1-15-6-3-4-8-19(15)22-24-21(29-25-22)13-17-7-5-11-26(14-17)30(27,28)20-10-9-18(23)12-16(20)2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3
InChIKeyPJFIOBBBAJVOEP-UHFFFAOYSA-N
XLogP4.14
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole (CID 90642122) is 5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is Cc1ccccc1-c1noc(CC2CCCN(S(=O)(=O)c3ccc(F)cc3C)C2)n1.
What is the InChIKey of 5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is PJFIOBBBAJVOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O3S/c1-15-6-3-4-8-19(15)22-24-21(29-25-22)13-17-7-5-11-26(14-17)30(27,28)20-10-9-18(23)12-16(20)2/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3.
What are the key properties of 5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole?
5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 429.52 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-yl]methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 90642122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).