1,3-benzoxazine-2,4-dione

C8H5NO3 — CID 16258

💊View drug profile → carsalam
IUPAC1,3-benzoxazine-2,4-dione
SMILESO=c1[nH]c(=O)c2ccccc2o1
InChIInChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChIKeyOAYRYNVEFFWSHK-UHFFFAOYSA-N
MW163.13 g/mol
LogP0.48
Rot. Bonds

About 1,3-benzoxazine-2,4-dione

1,3-benzoxazine-2,4-dione (PubChem CID 16258) has the molecular formula C8H5NO3 and a molecular weight of 163.13 g/mol. Its IUPAC name is 1,3-benzoxazine-2,4-dione.

Molecular Properties

Compound Name1,3-benzoxazine-2,4-dione
PubChem CID16258
Molecular FormulaC8H5NO3
Molecular Weight163.13 g/mol
Exact Mass163.03
IUPAC Name1,3-benzoxazine-2,4-dione
SMILESO=c1[nH]c(=O)c2ccccc2o1
InChIInChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)
InChIKeyOAYRYNVEFFWSHK-UHFFFAOYSA-N
XLogP0.48
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-benzoxazine-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

spiro[3H-1,3-benzoxazine-2,1'-cyclopentane]-4-one
CID 578159
2-(Acetyloxy)benzamide
CID 79747
Benadrostin
CID 197266
2,2-dimethyl-3,4-dihydro-2H-1,3-benzoxazin-4-one
CID 717428
2-benzyl-2-ethyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
CID 2852893
2-Phenyl-2,3-dihydro-benzo[e][1,3]oxazin-4-one
CID 245504
spiro[benzo[e][1,3]oxazine-2,1'-cyclohexan]-4(3H)-one
CID 652743
2-methyl-2-propyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
CID 3108850
2-Methoxy-N-methylbenzamide
CID 76940
N-(2-Ethoxybenzoyl)ethanimidato
CID 211525
2,3-Dihydro-2-thioxo-4H-1,3-benzoxazin-4-one
CID 3038016
3-amino-6-chloro-3,4-dihydro-2H-1,3-benzoxazine-2,4-dione
CID 12792175

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazine-2,4-dione?
The IUPAC name of 1,3-benzoxazine-2,4-dione (CID 16258) is 1,3-benzoxazine-2,4-dione.
What is the SMILES notation for 1,3-benzoxazine-2,4-dione?
The canonical SMILES for 1,3-benzoxazine-2,4-dione is O=c1[nH]c(=O)c2ccccc2o1.
What is the InChIKey of 1,3-benzoxazine-2,4-dione?
The InChIKey is OAYRYNVEFFWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11).
What are the key properties of 1,3-benzoxazine-2,4-dione?
1,3-benzoxazine-2,4-dione has a molecular weight of 163.13 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazine-2,4-dione is sourced from PubChem (CID 16258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).