6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one

C16H19NO3 — CID 18795551

IUPAC6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C16H19NO3/c1-11-14(13-8-6-5-7-9-13)15(19)17(10-20-11)16(3,4)12(2)18/h5-9H,10H2,1-4H3
InChIKeyBSVXRNJDDRIYNT-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.60
Rot. Bonds3

About 6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one

6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 18795551) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID18795551
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O
InChIInChI=1S/C16H19NO3/c1-11-14(13-8-6-5-7-9-13)15(19)17(10-20-11)16(3,4)12(2)18/h5-9H,10H2,1-4H3
InChIKeyBSVXRNJDDRIYNT-UHFFFAOYSA-N
XLogP2.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one (CID 18795551) is 6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one is CC(=O)C(C)(C)N1COC(C)=C(c2ccccc2)C1=O.
What is the InChIKey of 6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is BSVXRNJDDRIYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11-14(13-8-6-5-7-9-13)15(19)17(10-20-11)16(3,4)12(2)18/h5-9H,10H2,1-4H3.
What are the key properties of 6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one?
6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 273.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 18795551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).