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

C14H15NO2 — CID 10568343

IUPAC2-tert-butyl-6-phenyl-1,3-oxazin-4-one
SMILESCC(C)(C)c1nc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C14H15NO2/c1-14(2,3)13-15-12(16)9-11(17-13)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyKFIJRTURQFIGAZ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.00
Rot. Bonds1

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

2-tert-butyl-6-phenyl-1,3-oxazin-4-one (PubChem CID 10568343) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-tert-butyl-6-phenyl-1,3-oxazin-4-one.

Molecular Properties

Compound Name2-tert-butyl-6-phenyl-1,3-oxazin-4-one
PubChem CID10568343
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-tert-butyl-6-phenyl-1,3-oxazin-4-one
SMILESCC(C)(C)c1nc(=O)cc(-c2ccccc2)o1
InChIInChI=1S/C14H15NO2/c1-14(2,3)13-15-12(16)9-11(17-13)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyKFIJRTURQFIGAZ-UHFFFAOYSA-N
XLogP3.00
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-6-phenyl-1,3-oxazin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methyl-6-phenyl-4H-pyran-4-one
CID 120521
(5Z)-2-phenyl-5-[(2E)-3-phenylprop-2-en-1-ylidene]-1,3-oxazol-4(5H)-one
CID 919313
2-(Dimethylamino)-5-fluoro-6-phenyl-1,3-oxazin-4-one
CID 14948407
6-Amino-2-phenyl-4H-1,3-oxazin-4-one
CID 21231615
6-(1,1,2,2,2-Pentafluoroethyl)-2-phenyl-5-(trifluoromethyl)-1,3-oxazin-4-one
CID 134922293
methyl (2E)-2-(4,4-dimethyl-2-phenyl-1,3-oxazol-5-ylidene)acetate
CID 11075710
2-Ethyl-6-phenylpyran-4-one
CID 134912042
ethyl N-acetylbenzenecarboximidate
CID 4309685
4H-1,3-Oxazin-4-one, 6-methyl-2-phenyl-
CID 10589351
methyl N-acetylbenzimidate
CID 13028603
Methyl N-propanoylbenzenecarboximidate
CID 13553945
(5Z)-5-benzylidene-2-phenyl-oxazol-4-one
CID 5936967

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-phenyl-1,3-oxazin-4-one?
The IUPAC name of 2-tert-butyl-6-phenyl-1,3-oxazin-4-one (CID 10568343) is 2-tert-butyl-6-phenyl-1,3-oxazin-4-one.
What is the SMILES notation for 2-tert-butyl-6-phenyl-1,3-oxazin-4-one?
The canonical SMILES for 2-tert-butyl-6-phenyl-1,3-oxazin-4-one is CC(C)(C)c1nc(=O)cc(-c2ccccc2)o1.
What is the InChIKey of 2-tert-butyl-6-phenyl-1,3-oxazin-4-one?
The InChIKey is KFIJRTURQFIGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-14(2,3)13-15-12(16)9-11(17-13)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of 2-tert-butyl-6-phenyl-1,3-oxazin-4-one?
2-tert-butyl-6-phenyl-1,3-oxazin-4-one has a molecular weight of 229.28 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-phenyl-1,3-oxazin-4-one is sourced from PubChem (CID 10568343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).