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

C19H20N4O3S — CID 92751621

IUPAC5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccn4)no3)C2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-7-9-16(10-8-14)27(24,25)23-12-4-5-15(13-23)19-21-18(22-26-19)17-6-2-3-11-20-17/h2-3,6-11,15H,4-5,12-13H2,1H3/t15-/m1/s1
InChIKeyZXKLSDIJZKHXCC-OAHLLOKOSA-N
MW384.46 g/mol
LogP3.01
Rot. Bonds4

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

5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 92751621) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID92751621
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESCc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccn4)no3)C2)cc1
InChIInChI=1S/C19H20N4O3S/c1-14-7-9-16(10-8-14)27(24,25)23-12-4-5-15(13-23)19-21-18(22-26-19)17-6-2-3-11-20-17/h2-3,6-11,15H,4-5,12-13H2,1H3/t15-/m1/s1
InChIKeyZXKLSDIJZKHXCC-OAHLLOKOSA-N
XLogP3.01
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole (CID 92751621) is 5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4ccccn4)no3)C2)cc1.
What is the InChIKey of 5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is ZXKLSDIJZKHXCC-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-14-7-9-16(10-8-14)27(24,25)23-12-4-5-15(13-23)19-21-18(22-26-19)17-6-2-3-11-20-17/h2-3,6-11,15H,4-5,12-13H2,1H3/t15-/m1/s1.
What are the key properties of 5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole?
5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 384.46 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 92751621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).