5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

C21H24N4O3S — CID 92751718

IUPAC5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1
InChIInChI=1S/C21H24N4O3S/c1-15(2)16-5-7-19(8-6-16)29(26,27)25-13-3-4-18(14-25)21-23-20(24-28-21)17-9-11-22-12-10-17/h5-12,15,18H,3-4,13-14H2,1-2H3/t18-/m1/s1
InChIKeyXVHBSYDGEVVCNW-GOSISDBHSA-N
MW412.52 g/mol
LogP3.82
Rot. Bonds5

About 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 92751718) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID92751718
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC Name5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCC(C)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1
InChIInChI=1S/C21H24N4O3S/c1-15(2)16-5-7-19(8-6-16)29(26,27)25-13-3-4-18(14-25)21-23-20(24-28-21)17-9-11-22-12-10-17/h5-12,15,18H,3-4,13-14H2,1-2H3/t18-/m1/s1
InChIKeyXVHBSYDGEVVCNW-GOSISDBHSA-N
XLogP3.82
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole with MolForge

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Related Compounds

3-(4-fluorophenyl)-5-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92751745
5-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 3225924
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
5-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 6557844
5-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 3225926
3-(3-methoxy-4-propan-2-yloxyphenyl)-5-[(3S)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 92751751
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
5-[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 45498638
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1456856
3-(4-fluorophenyl)-5-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1453941
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112505

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 92751718) is 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1.
What is the InChIKey of 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is XVHBSYDGEVVCNW-GOSISDBHSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-15(2)16-5-7-19(8-6-16)29(26,27)25-13-3-4-18(14-25)21-23-20(24-28-21)17-9-11-22-12-10-17/h5-12,15,18H,3-4,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 412.52 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(4-propan-2-ylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 92751718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).