3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

C13H19N5O3S — CID 110257201

IUPAC3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2(C)CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C13H19N5O3S/c1-10-15-12(21-16-10)13(2)5-4-6-18(8-13)22(19,20)11-7-17(3)9-14-11/h7,9H,4-6,8H2,1-3H3
InChIKeyFRTLPSZMEFUJCJ-UHFFFAOYSA-N
MW325.39 g/mol
LogP0.85
Rot. Bonds3

About 3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole

3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole (PubChem CID 110257201) has the molecular formula C13H19N5O3S and a molecular weight of 325.39 g/mol. Its IUPAC name is 3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
PubChem CID110257201
Molecular FormulaC13H19N5O3S
Molecular Weight325.39 g/mol
Exact Mass325.12
IUPAC Name3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
SMILESCc1noc(C2(C)CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1
InChIInChI=1S/C13H19N5O3S/c1-10-15-12(21-16-10)13(2)5-4-6-18(8-13)22(19,20)11-7-17(3)9-14-11/h7,9H,4-6,8H2,1-3H3
InChIKeyFRTLPSZMEFUJCJ-UHFFFAOYSA-N
XLogP0.85
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole (CID 110257201) is 3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole is Cc1noc(C2(C)CCCN(S(=O)(=O)c3cn(C)cn3)C2)n1.
What is the InChIKey of 3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is FRTLPSZMEFUJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O3S/c1-10-15-12(21-16-10)13(2)5-4-6-18(8-13)22(19,20)11-7-17(3)9-14-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole?
3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 325.39 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 110257201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).