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

C14H18N2O2 — CID 3064830

IUPAC6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one
SMILESCC1=NN(C)C(=O)OC1(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-9-6-7-12(8-10(9)2)14(4)11(3)15-16(5)13(17)18-14/h6-8H,1-5H3
InChIKeyBJYQUOLKSWJFPT-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.98
Rot. Bonds1

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

6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one (PubChem CID 3064830) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one
PubChem CID3064830
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one
SMILESCC1=NN(C)C(=O)OC1(C)c1ccc(C)c(C)c1
InChIInChI=1S/C14H18N2O2/c1-9-6-7-12(8-10(9)2)14(4)11(3)15-16(5)13(17)18-14/h6-8H,1-5H3
InChIKeyBJYQUOLKSWJFPT-UHFFFAOYSA-N
XLogP2.98
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one?
The IUPAC name of 6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one (CID 3064830) is 6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one?
The canonical SMILES for 6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one is CC1=NN(C)C(=O)OC1(C)c1ccc(C)c(C)c1.
What is the InChIKey of 6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one?
The InChIKey is BJYQUOLKSWJFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-6-7-12(8-10(9)2)14(4)11(3)15-16(5)13(17)18-14/h6-8H,1-5H3.
What are the key properties of 6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one?
6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethylphenyl)-3,5,6-trimethyl-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 3064830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).