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

C12H13NO2 — CID 569617

IUPAC4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one
SMILESCC1(C)CC(=O)OC(c2ccccc2)=N1
InChIInChI=1S/C12H13NO2/c1-12(2)8-10(14)15-11(13-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyJNMOTQUPKBWBSF-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.16
Rot. Bonds1

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

4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one (PubChem CID 569617) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one.

Molecular Properties

Compound Name4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one
PubChem CID569617
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one
SMILESCC1(C)CC(=O)OC(c2ccccc2)=N1
InChIInChI=1S/C12H13NO2/c1-12(2)8-10(14)15-11(13-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKeyJNMOTQUPKBWBSF-UHFFFAOYSA-N
XLogP2.16
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-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

4-Methyl-2-phenyl-2-oxazoline-5-one
CID 495826
Azlactone
CID 65073
4-Isopropylidene-2-phenyl-5(4H)-oxazole
CID 225481
4-Isopropyl-2-phenyl-2-oxazoline-5-one
CID 339098
5,6-Dihydro-4,4,6-trimethyl-2-phenyl-4H-1,3-oxazine
CID 569306
6-Phenyl-5-oxa-7-azaspiro[2.4]hept-6-en-4-one
CID 504604
(4S)-2-phenyl-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 6992728
2-(4-fluorophenyl)-4-methyl-4H-1,3-oxazol-5-one
CID 46844549
2-(2-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 139252961
2-(4-fluorophenyl)-4-propan-2-yl-4H-1,3-oxazol-5-one
CID 139259605
(4R)-2-(2-fluorophenyl)-4-methyl-4-[(E,2S)-4-phenylbut-3-en-2-yl]-1,3-oxazol-5-one
CID 154718195
4-Acetyl-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
CID 2732015

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one?
The IUPAC name of 4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one (CID 569617) is 4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one.
What is the SMILES notation for 4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one?
The canonical SMILES for 4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one is CC1(C)CC(=O)OC(c2ccccc2)=N1.
What is the InChIKey of 4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one?
The InChIKey is JNMOTQUPKBWBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-12(2)8-10(14)15-11(13-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3.
What are the key properties of 4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one?
4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one has a molecular weight of 203.24 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-phenyl-5H-1,3-oxazin-6-one is sourced from PubChem (CID 569617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).