5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole

C11H18N2O3S — CID 151730504

IUPAC5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole
SMILESCc1ocnc1CS(=O)(=O)C1CCN(C)CC1
InChIInChI=1S/C11H18N2O3S/c1-9-11(12-8-16-9)7-17(14,15)10-3-5-13(2)6-4-10/h8,10H,3-7H2,1-2H3
InChIKeyRKLPJGWGWUXDQS-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.99
Rot. Bonds3

About 5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole

5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole (PubChem CID 151730504) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole
PubChem CID151730504
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole
SMILESCc1ocnc1CS(=O)(=O)C1CCN(C)CC1
InChIInChI=1S/C11H18N2O3S/c1-9-11(12-8-16-9)7-17(14,15)10-3-5-13(2)6-4-10/h8,10H,3-7H2,1-2H3
InChIKeyRKLPJGWGWUXDQS-UHFFFAOYSA-N
XLogP0.99
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole?
The IUPAC name of 5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole (CID 151730504) is 5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole?
The canonical SMILES for 5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole is Cc1ocnc1CS(=O)(=O)C1CCN(C)CC1.
What is the InChIKey of 5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole?
The InChIKey is RKLPJGWGWUXDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-9-11(12-8-16-9)7-17(14,15)10-3-5-13(2)6-4-10/h8,10H,3-7H2,1-2H3.
What are the key properties of 5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole?
5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole has a molecular weight of 258.34 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(1-methylpiperidin-4-yl)sulfonylmethyl]-1,3-oxazole is sourced from PubChem (CID 151730504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).