3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one

C13H16N2O2 — CID 3064828

IUPAC3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one
SMILESCC1=NN(C)C(=O)OC1(C)c1ccc(C)cc1
InChIInChI=1S/C13H16N2O2/c1-9-5-7-11(8-6-9)13(3)10(2)14-15(4)12(16)17-13/h5-8H,1-4H3
InChIKeyWCWKZEGHXDJSNU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.67
Rot. Bonds1

About 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one

3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one (PubChem CID 3064828) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one
PubChem CID3064828
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one
SMILESCC1=NN(C)C(=O)OC1(C)c1ccc(C)cc1
InChIInChI=1S/C13H16N2O2/c1-9-5-7-11(8-6-9)13(3)10(2)14-15(4)12(16)17-13/h5-8H,1-4H3
InChIKeyWCWKZEGHXDJSNU-UHFFFAOYSA-N
XLogP2.67
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one?
The IUPAC name of 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one (CID 3064828) is 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one?
The canonical SMILES for 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one is CC1=NN(C)C(=O)OC1(C)c1ccc(C)cc1.
What is the InChIKey of 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one?
The InChIKey is WCWKZEGHXDJSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-5-7-11(8-6-9)13(3)10(2)14-15(4)12(16)17-13/h5-8H,1-4H3.
What are the key properties of 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one?
3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one has a molecular weight of 232.28 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trimethyl-6-(4-methylphenyl)-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 3064828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).