5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole

C10H16N2O3S — CID 141384373

IUPAC5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole
SMILESCc1ocnc1CS(=O)(=O)C1CCNCC1
InChIInChI=1S/C10H16N2O3S/c1-8-10(12-7-15-8)6-16(13,14)9-2-4-11-5-3-9/h7,9,11H,2-6H2,1H3
InChIKeyIBLWVNAMMWUHSX-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.65
Rot. Bonds3

About 5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole

5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole (PubChem CID 141384373) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole
PubChem CID141384373
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC Name5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole
SMILESCc1ocnc1CS(=O)(=O)C1CCNCC1
InChIInChI=1S/C10H16N2O3S/c1-8-10(12-7-15-8)6-16(13,14)9-2-4-11-5-3-9/h7,9,11H,2-6H2,1H3
InChIKeyIBLWVNAMMWUHSX-UHFFFAOYSA-N
XLogP0.65
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole?
The IUPAC name of 5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole (CID 141384373) is 5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole?
The canonical SMILES for 5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole is Cc1ocnc1CS(=O)(=O)C1CCNCC1.
What is the InChIKey of 5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole?
The InChIKey is IBLWVNAMMWUHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3S/c1-8-10(12-7-15-8)6-16(13,14)9-2-4-11-5-3-9/h7,9,11H,2-6H2,1H3.
What are the key properties of 5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole?
5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole has a molecular weight of 244.32 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(piperidin-4-ylsulfonylmethyl)-1,3-oxazole is sourced from PubChem (CID 141384373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).