3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

C14H17N3O3S — CID 2761149

IUPAC3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2noc(C3CCNCC3)n2)cc1
InChIInChI=1S/C14H17N3O3S/c1-21(18,19)12-4-2-10(3-5-12)13-16-14(20-17-13)11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3
InChIKeyOPQYOULELHGKEU-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.61
Rot. Bonds3

About 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole

3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (PubChem CID 2761149) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
PubChem CID2761149
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
SMILESCS(=O)(=O)c1ccc(-c2noc(C3CCNCC3)n2)cc1
InChIInChI=1S/C14H17N3O3S/c1-21(18,19)12-4-2-10(3-5-12)13-16-14(20-17-13)11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3
InChIKeyOPQYOULELHGKEU-UHFFFAOYSA-N
XLogP1.61
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-methylsulfonylphenyl)-5-piperidin-4-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

(2S,3S)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine
CID 23645698
alpha-Amino acid pyrrolidide 29
CID 23645705
4-{3-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidine-1-carboxylic acid cyclohexylamide
CID 650981
N-Benzyl-4-[5-(1-methanesulfonyl-piperidin-3-yl)-[1,2,4]oxadiazol-3-yl]-benzenesulfonamide
CID 652610
2-Methyl-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-propan-1-one
CID 1453639
Cyclopropyl-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-methanone
CID 1453643
4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45270778
4-(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
CID 155568453
1-Phenylmethanesulfonyl-4-(3-thiophen-2-yl-[1,2,4]oxadiazol-5-yl)-piperidine
CID 653662
1-{4-[5-(1-Methanesulfonyl-piperidin-4-yl)-[1,2,4]oxadiazol-3-yl]-benzenesulfonyl}-4-methyl-piperazine
CID 650498
2-Methyl-1-[4-[3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 1383723
1-Ethanesulfonyl-4-(3-p-tolyl-[1,2,4]oxadiazol-5-yl)-piperidine
CID 651029

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole (CID 2761149) is 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is CS(=O)(=O)c1ccc(-c2noc(C3CCNCC3)n2)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
The InChIKey is OPQYOULELHGKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-21(18,19)12-4-2-10(3-5-12)13-16-14(20-17-13)11-6-8-15-9-7-11/h2-5,11,15H,6-9H2,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole?
3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole has a molecular weight of 307.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)-5-piperidin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2761149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).