5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione

C17H13NO3 — CID 13219285

IUPAC5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione
SMILESCc1c(-c2ccccc2)oc(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H13NO3/c1-12-15(13-8-4-2-5-9-13)21-17(20)18(16(12)19)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyXDDVUPYAYXNMJI-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.77
Rot. Bonds2

About 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione

5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione (PubChem CID 13219285) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione
PubChem CID13219285
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione
SMILESCc1c(-c2ccccc2)oc(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H13NO3/c1-12-15(13-8-4-2-5-9-13)21-17(20)18(16(12)19)14-10-6-3-7-11-14/h2-11H,1H3
InChIKeyXDDVUPYAYXNMJI-UHFFFAOYSA-N
XLogP2.77
TPSA52.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione 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-3,5-diphenyl-1,3-oxazol-2-one
CID 134935741
4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
CID 164684853
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
CID 102443684
3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one
CID 95170020
3-acetyl-4-hydroxy-5-methyl-1,6-diphenylpyridin-2-one
CID 54687627
4-hydroxy-8-methyl-6,7-diphenylpyrano[3,2-c]pyridine-2,5-dione
CID 54680527
5-methyl-2,6-diphenyl-1,3-oxazin-4-one
CID 13028435
3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one
CID 13007928
4-(4-methylphenyl)-3-phenyl-1,3-oxazol-2-one
CID 20768022
1-phenyl-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 13397710
3,4-dimethyl-2-phenylisoquinolin-1-one;ethane
CID 165126064
5-chloro-2,4-dimethyl-6-oxo-1-phenylpyridine-3-carboxylic acid
CID 67979466

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione?
The IUPAC name of 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione (CID 13219285) is 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione.
What is the SMILES notation for 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione?
The canonical SMILES for 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione is Cc1c(-c2ccccc2)oc(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione?
The InChIKey is XDDVUPYAYXNMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-12-15(13-8-4-2-5-9-13)21-17(20)18(16(12)19)14-10-6-3-7-11-14/h2-11H,1H3.
What are the key properties of 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione?
5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione has a molecular weight of 279.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione is sourced from PubChem (CID 13219285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).