3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one

C15H19NO2 — CID 57155967

IUPAC3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C)CO1
InChIInChI=1S/C15H19NO2/c1-11-13(12-8-6-5-7-9-12)14(17)16(10-18-11)15(2,3)4/h5-9H,10H2,1-4H3
InChIKeyLVFAUABEFNQBQK-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.03
Rot. Bonds1

About 3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one

3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (PubChem CID 57155967) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.

Molecular Properties

Compound Name3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
PubChem CID57155967
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
SMILESCC1=C(c2ccccc2)C(=O)N(C(C)(C)C)CO1
InChIInChI=1S/C15H19NO2/c1-11-13(12-8-6-5-7-9-12)14(17)16(10-18-11)15(2,3)4/h5-9H,10H2,1-4H3
InChIKeyLVFAUABEFNQBQK-UHFFFAOYSA-N
XLogP3.03
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-3-(2-methyl-3-oxobutan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
CID 18795551
3-[2-(3-fluorophenyl)propan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 22906710
3-[1-(3-chlorophenyl)-1-hydroxy-2-methylpropan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795461
6-methyl-3-(2-methyl-1-oxo-1-thiophen-2-ylpropan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
CID 18795522
6-methyl-3-(2-methyl-3-oxononan-2-yl)-5-phenyl-2H-1,3-oxazin-4-one
CID 18795529
3-[4-(3,5-difluorophenyl)-2-methyl-3-oxobutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795471
3-[4-(3-chlorophenyl)-3-hydroxy-2-methylbutan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 18795484
3-[1-[3,5-bis(chloromethyl)phenyl]-1-hydroxy-2-methylpropan-2-yl]-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 139830061
3-tert-butyl-5,6-dimethyl-2H-1,3-oxazin-4-one
CID 54480933
3-(5-cyclohexylsulfanyl-2-methyl-3-oxopentan-2-yl)-6-methyl-5-phenyl-2H-1,3-oxazin-4-one
CID 22118279
2-methyl-2-(6-methyl-4-oxo-5-thiophen-3-yl-2H-1,3-oxazin-3-yl)propanamide
CID 130346348
tert-butyl 2-[6-(chloromethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
CID 54494149

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The IUPAC name of 3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one (CID 57155967) is 3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one.
What is the SMILES notation for 3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The canonical SMILES for 3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is CC1=C(c2ccccc2)C(=O)N(C(C)(C)C)CO1.
What is the InChIKey of 3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
The InChIKey is LVFAUABEFNQBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-13(12-8-6-5-7-9-12)14(17)16(10-18-11)15(2,3)4/h5-9H,10H2,1-4H3.
What are the key properties of 3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one?
3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one has a molecular weight of 245.32 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-methyl-5-phenyl-2H-1,3-oxazin-4-one is sourced from PubChem (CID 57155967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).