5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one

C11H12N2O2 — CID 3064824

IUPAC5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one
SMILESCC1=NNC(=O)OC1(C)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-8-11(2,15-10(14)13-12-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)
InChIKeyCWZAHGNWKZHUDH-UHFFFAOYSA-N
MW204.23 g/mol
LogP2.02
Rot. Bonds1

About 5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one

5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one (PubChem CID 3064824) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one
PubChem CID3064824
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one
SMILESCC1=NNC(=O)OC1(C)c1ccccc1
InChIInChI=1S/C11H12N2O2/c1-8-11(2,15-10(14)13-12-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14)
InChIKeyCWZAHGNWKZHUDH-UHFFFAOYSA-N
XLogP2.02
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one?
The IUPAC name of 5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one (CID 3064824) is 5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one is CC1=NNC(=O)OC1(C)c1ccccc1.
What is the InChIKey of 5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one?
The InChIKey is CWZAHGNWKZHUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-11(2,15-10(14)13-12-8)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,13,14).
What are the key properties of 5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one?
5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one has a molecular weight of 204.23 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-6-phenyl-3H-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 3064824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).