3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole

C15H19N3O3S — CID 22585601

IUPAC3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C15H19N3O3S/c1-11-15(12(2)21-17-11)22(19,20)18-9-5-14(6-10-18)13-3-7-16-8-4-13/h3-4,7-8,14H,5-6,9-10H2,1-2H3
InChIKeyTZERUBCYOZFLAR-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.25
Rot. Bonds3

About 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole

3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole (PubChem CID 22585601) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole
PubChem CID22585601
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(c2ccncc2)CC1
InChIInChI=1S/C15H19N3O3S/c1-11-15(12(2)21-17-11)22(19,20)18-9-5-14(6-10-18)13-3-7-16-8-4-13/h3-4,7-8,14H,5-6,9-10H2,1-2H3
InChIKeyTZERUBCYOZFLAR-UHFFFAOYSA-N
XLogP2.25
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole (CID 22585601) is 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCC(c2ccncc2)CC1.
What is the InChIKey of 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole?
The InChIKey is TZERUBCYOZFLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-15(12(2)21-17-11)22(19,20)18-9-5-14(6-10-18)13-3-7-16-8-4-13/h3-4,7-8,14H,5-6,9-10H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole?
3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole has a molecular weight of 321.40 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(4-pyridin-4-ylpiperidin-1-yl)sulfonyl-1,2-oxazole is sourced from PubChem (CID 22585601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).