1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea

C11H13N3O3 — CID 115168250

IUPAC1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
SMILESCC1Oc2ccc(N(C)C(N)=O)cc2NC1=O
InChIInChI=1S/C11H13N3O3/c1-6-10(15)13-8-5-7(14(2)11(12)16)3-4-9(8)17-6/h3-6H,1-2H3,(H2,12,16)(H,13,15)
InChIKeyCZAKZMFXYGCFFK-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.92
Rot. Bonds1

About 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea

1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea (PubChem CID 115168250) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
PubChem CID115168250
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
SMILESCC1Oc2ccc(N(C)C(N)=O)cc2NC1=O
InChIInChI=1S/C11H13N3O3/c1-6-10(15)13-8-5-7(14(2)11(12)16)3-4-9(8)17-6/h3-6H,1-2H3,(H2,12,16)(H,13,15)
InChIKeyCZAKZMFXYGCFFK-UHFFFAOYSA-N
XLogP0.92
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea 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

N-methyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-2-oxoacetamide
CID 115166089
methyl-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)cyanamide
CID 117043226
6-[dimethylamino(hydroxy)methyl]-2-methyl-4H-1,4-benzoxazin-3-one
CID 116909591
2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)ethylurea
CID 115168535
6-(2-aminoacetyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 82339477
3-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)butanoic acid
CID 82485901
6-(1-amino-3-oxobutyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 116940571
2-methyl-2-[methyl-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]propanenitrile
CID 115129171
6-[3-chloropropyl(methyl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 115215537
2-methyl-3-oxo-4H-1,4-benzoxazine-6-carboximidamide
CID 82492025
N-methyl-N-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)methyl]carbamoyl bromide
CID 115193782
N-methyl-2-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770562

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea?
The IUPAC name of 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea (CID 115168250) is 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea.
What is the SMILES notation for 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea?
The canonical SMILES for 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea is CC1Oc2ccc(N(C)C(N)=O)cc2NC1=O.
What is the InChIKey of 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea?
The InChIKey is CZAKZMFXYGCFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-10(15)13-8-5-7(14(2)11(12)16)3-4-9(8)17-6/h3-6H,1-2H3,(H2,12,16)(H,13,15).
What are the key properties of 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea?
1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea has a molecular weight of 235.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea is sourced from PubChem (CID 115168250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).