3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole

C14H18N4O3S — CID 119043572

IUPAC3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCc1cncc(-c2noc(C3CCCN(S(C)(=O)=O)C3)n2)c1
InChIInChI=1S/C14H18N4O3S/c1-10-6-12(8-15-7-10)13-16-14(21-17-13)11-4-3-5-18(9-11)22(2,19)20/h6-8,11H,3-5,9H2,1-2H3
InChIKeyFXSFQVOXVXATRL-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.58
Rot. Bonds3

About 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole

3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole (PubChem CID 119043572) has the molecular formula C14H18N4O3S and a molecular weight of 322.39 g/mol. Its IUPAC name is 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
PubChem CID119043572
Molecular FormulaC14H18N4O3S
Molecular Weight322.39 g/mol
Exact Mass322.11
IUPAC Name3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole
SMILESCc1cncc(-c2noc(C3CCCN(S(C)(=O)=O)C3)n2)c1
InChIInChI=1S/C14H18N4O3S/c1-10-6-12(8-15-7-10)13-16-14(21-17-13)11-4-3-5-18(9-11)22(2,19)20/h6-8,11H,3-5,9H2,1-2H3
InChIKeyFXSFQVOXVXATRL-UHFFFAOYSA-N
XLogP1.58
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 99817783
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
3-(2-iodophenyl)-5-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 99964242
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687
5-[1-(2-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3226125
5-[1-(2-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 47092466
3-(4-methylphenyl)-5-[(3R)-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 1456647
5-[1-(4-bromophenyl)sulfonylpiperidin-3-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 50799537
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazole
CID 53112505
5-[(3S)-1-(3-chloro-4-methylphenyl)sulfonylpiperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 1453842
5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125005344

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole (CID 119043572) is 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole is Cc1cncc(-c2noc(C3CCCN(S(C)(=O)=O)C3)n2)c1.
What is the InChIKey of 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is FXSFQVOXVXATRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3S/c1-10-6-12(8-15-7-10)13-16-14(21-17-13)11-4-3-5-18(9-11)22(2,19)20/h6-8,11H,3-5,9H2,1-2H3.
What are the key properties of 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole?
3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 322.39 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-pyridinyl)-5-(1-methylsulfonylpiperidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 119043572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).