3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole

C11H18N2OS — CID 84755010

IUPAC3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSC1CCCNC1
InChIInChI=1S/C11H18N2OS/c1-8-11(9(2)14-13-8)7-15-10-4-3-5-12-6-10/h10,12H,3-7H2,1-2H3
InChIKeyBZAZECREIDDFTL-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.28
Rot. Bonds3

About 3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole

3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 84755010) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole
PubChem CID84755010
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole
SMILESCc1noc(C)c1CSC1CCCNC1
InChIInChI=1S/C11H18N2OS/c1-8-11(9(2)14-13-8)7-15-10-4-3-5-12-6-10/h10,12H,3-7H2,1-2H3
InChIKeyBZAZECREIDDFTL-UHFFFAOYSA-N
XLogP2.28
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole (CID 84755010) is 3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole is Cc1noc(C)c1CSC1CCCNC1.
What is the InChIKey of 3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is BZAZECREIDDFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-11(9(2)14-13-8)7-15-10-4-3-5-12-6-10/h10,12H,3-7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole?
3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 226.34 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(piperidin-3-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 84755010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).