3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol

C19H20N4O4S — CID 143794018

IUPAC3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCS(=O)(=O)C1CCN(c2ncccc2-c2nc(-c3cccc(O)c3)no2)CC1
InChIInChI=1S/C19H20N4O4S/c1-28(25,26)15-7-10-23(11-8-15)18-16(6-3-9-20-18)19-21-17(22-27-19)13-4-2-5-14(24)12-13/h2-6,9,12,15,24H,7-8,10-11H2,1H3
InChIKeyQMWONEIYFBIGBR-UHFFFAOYSA-N
MW400.46 g/mol
LogP2.52
Rot. Bonds4

About 3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol

3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol (PubChem CID 143794018) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is 3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol.

Molecular Properties

Compound Name3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol
PubChem CID143794018
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC Name3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol
SMILESCS(=O)(=O)C1CCN(c2ncccc2-c2nc(-c3cccc(O)c3)no2)CC1
InChIInChI=1S/C19H20N4O4S/c1-28(25,26)15-7-10-23(11-8-15)18-16(6-3-9-20-18)19-21-17(22-27-19)13-4-2-5-14(24)12-13/h2-6,9,12,15,24H,7-8,10-11H2,1H3
InChIKeyQMWONEIYFBIGBR-UHFFFAOYSA-N
XLogP2.52
TPSA109.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-[3-(3-hydroxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 143793952
4-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperazine-1-carboxylic acid
CID 143793994
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 53365334
3-[5-(2-methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]phenol
CID 62876336
3-(3-fluorophenyl)-5-(2-piperidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 155941594
1-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 53135902
tert-butyl N-[1-[3-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]carbamate
CID 25264785
1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770067
1-[1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carbonyl]piperidine-4-carboxamide
CID 53135799
N-cyclohexyl-1-[3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53135930
[1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53365332
5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 46265176

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol?
The IUPAC name of 3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol (CID 143794018) is 3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol.
What is the SMILES notation for 3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol?
The canonical SMILES for 3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol is CS(=O)(=O)C1CCN(c2ncccc2-c2nc(-c3cccc(O)c3)no2)CC1.
What is the InChIKey of 3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol?
The InChIKey is QMWONEIYFBIGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c1-28(25,26)15-7-10-23(11-8-15)18-16(6-3-9-20-18)19-21-17(22-27-19)13-4-2-5-14(24)12-13/h2-6,9,12,15,24H,7-8,10-11H2,1H3.
What are the key properties of 3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol?
3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol has a molecular weight of 400.46 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(4-methylsulfonylpiperidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenol is sourced from PubChem (CID 143794018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).