2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole

C18H18N4O3S — CID 124952572

IUPAC2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccccc1)N1CCCC[C@@H]1c1nnc(-c2ccccn2)o1
InChIInChI=1S/C18H18N4O3S/c23-26(24,14-8-2-1-3-9-14)22-13-7-5-11-16(22)18-21-20-17(25-18)15-10-4-6-12-19-15/h1-4,6,8-10,12,16H,5,7,11,13H2/t16-/m1/s1
InChIKeyDPLDFGFKZNAHJV-MRXNPFEDSA-N
MW370.43 g/mol
LogP3.05
Rot. Bonds4

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

2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (PubChem CID 124952572) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
PubChem CID124952572
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
SMILESO=S(=O)(c1ccccc1)N1CCCC[C@@H]1c1nnc(-c2ccccn2)o1
InChIInChI=1S/C18H18N4O3S/c23-26(24,14-8-2-1-3-9-14)22-13-7-5-11-16(22)18-21-20-17(25-18)15-10-4-6-12-19-15/h1-4,6,8-10,12,16H,5,7,11,13H2/t16-/m1/s1
InChIKeyDPLDFGFKZNAHJV-MRXNPFEDSA-N
XLogP3.05
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110247160
2-[(2S)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92558047
2-[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidin-2-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 124958297
2-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 92558030
2-[1-(3-fluorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235508
2-[1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 110224612
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92576765
2-[(2S)-1-(3-chlorophenyl)sulfonylpyrrolidin-2-yl]-5-isoquinolin-1-yl-1,3,4-oxadiazole
CID 92576763
2-cyclobutyl-5-[1-(3-methylphenyl)sulfonylpiperidin-2-yl]-1,3,4-oxadiazole
CID 136542510
2-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110247156
2-[(2S)-1-(3-fluorophenyl)sulfonylpyrrolidin-2-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92569582
2-[1-(3,4-dichlorophenyl)sulfonylpiperidin-3-yl]-5-pyridin-2-yl-1,3,4-oxadiazole
CID 110235511

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole (CID 124952572) is 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is O=S(=O)(c1ccccc1)N1CCCC[C@@H]1c1nnc(-c2ccccn2)o1.
What is the InChIKey of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
The InChIKey is DPLDFGFKZNAHJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H18N4O3S/c23-26(24,14-8-2-1-3-9-14)22-13-7-5-11-16(22)18-21-20-17(25-18)15-10-4-6-12-19-15/h1-4,6,8-10,12,16H,5,7,11,13H2/t16-/m1/s1.
What are the key properties of 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole?
2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole has a molecular weight of 370.43 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-(benzenesulfonyl)piperidin-2-yl]-5-pyridin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 124952572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).