3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole

C16H27N3O3S — CID 118308370

IUPAC3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1
InChIInChI=1S/C16H27N3O3S/c1-12-4-8-18(9-5-12)15-6-10-19(11-7-15)23(20,21)16-13(2)17-22-14(16)3/h12,15H,4-11H2,1-3H3
InChIKeyDWRKUZPUYCZCSQ-UHFFFAOYSA-N
MW341.48 g/mol
LogP2.18
Rot. Bonds3

About 3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole

3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole (PubChem CID 118308370) has the molecular formula C16H27N3O3S and a molecular weight of 341.48 g/mol. Its IUPAC name is 3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
PubChem CID118308370
Molecular FormulaC16H27N3O3S
Molecular Weight341.48 g/mol
Exact Mass341.18
IUPAC Name3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1
InChIInChI=1S/C16H27N3O3S/c1-12-4-8-18(9-5-12)15-6-10-19(11-7-15)23(20,21)16-13(2)17-22-14(16)3/h12,15H,4-11H2,1-3H3
InChIKeyDWRKUZPUYCZCSQ-UHFFFAOYSA-N
XLogP2.18
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.48
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole (CID 118308370) is 3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCC(N2CCC(C)CC2)CC1.
What is the InChIKey of 3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
The InChIKey is DWRKUZPUYCZCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3S/c1-12-4-8-18(9-5-12)15-6-10-19(11-7-15)23(20,21)16-13(2)17-22-14(16)3/h12,15H,4-11H2,1-3H3.
What are the key properties of 3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole?
3,5-dimethyl-4-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole has a molecular weight of 341.48 g/mol, XLogP of 2.18, 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-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonyl-1,2-oxazole is sourced from PubChem (CID 118308370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).