(3-oxo-4H-1,4-oxazin-2-yl) acetate

C6H7NO4 — CID 143843630

IUPAC(3-oxo-4H-1,4-oxazin-2-yl) acetate
SMILESCC(=O)OC1OC=CNC1=O
InChIInChI=1S/C6H7NO4/c1-4(8)11-6-5(9)7-2-3-10-6/h2-3,6H,1H3,(H,7,9)
InChIKeyMARDFOMFKUNEFO-UHFFFAOYSA-N
MW157.12 g/mol
LogP-0.51
Rot. Bonds1

About (3-oxo-4H-1,4-oxazin-2-yl) acetate

(3-oxo-4H-1,4-oxazin-2-yl) acetate (PubChem CID 143843630) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is (3-oxo-4H-1,4-oxazin-2-yl) acetate.

Molecular Properties

Compound Name(3-oxo-4H-1,4-oxazin-2-yl) acetate
PubChem CID143843630
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name(3-oxo-4H-1,4-oxazin-2-yl) acetate
SMILESCC(=O)OC1OC=CNC1=O
InChIInChI=1S/C6H7NO4/c1-4(8)11-6-5(9)7-2-3-10-6/h2-3,6H,1H3,(H,7,9)
InChIKeyMARDFOMFKUNEFO-UHFFFAOYSA-N
XLogP-0.51
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-oxo-4H-1,4-oxazin-2-yl) acetate 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

(3-methyl-2H-pyran-2-yl) acetate
CID 175253365
[(2R,3R)-2-methyl-4-oxo-2,3-dihydropyran-3-yl] acetate
CID 131843119
[(2R,6R)-6-acetyloxy-4-methyl-5-oxo-2H-pyran-2-yl] acetate
CID 90475426
(2-oxo-4-propan-2-ylazetidin-3-yl) acetate
CID 22382233
2,5-dihydro-1,2-oxazol-5-yl acetate
CID 57174536
[(2S,3S)-3-amino-4-oxoazetidin-2-yl] acetate
CID 15428308
[(3R)-2,2-dimethyl-4-oxoazetidin-3-yl] acetate
CID 59991126
[(2aS,8R,8aR)-6-chloro-2-oxo-1,2a,8,8a-tetrahydrochromeno[3,2-b]azet-8-yl] acetate
CID 100964488
(2-methyl-4-oxocyclohex-2-en-1-yl) acetate
CID 10986648
[(2R,3R)-3-acetyloxy-4-oxo-2,3-dihydropyran-2-yl]methyl acetate
CID 11031606
[(2S)-5-oxo-1,2-dihydropyrrol-2-yl] acetate
CID 11194386
(2,5-dioxopyrrolidin-3-yl) acetate;hydroiodide
CID 158302570

Frequently Asked Questions

What is the IUPAC name of (3-oxo-4H-1,4-oxazin-2-yl) acetate?
The IUPAC name of (3-oxo-4H-1,4-oxazin-2-yl) acetate (CID 143843630) is (3-oxo-4H-1,4-oxazin-2-yl) acetate.
What is the SMILES notation for (3-oxo-4H-1,4-oxazin-2-yl) acetate?
The canonical SMILES for (3-oxo-4H-1,4-oxazin-2-yl) acetate is CC(=O)OC1OC=CNC1=O.
What is the InChIKey of (3-oxo-4H-1,4-oxazin-2-yl) acetate?
The InChIKey is MARDFOMFKUNEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-4(8)11-6-5(9)7-2-3-10-6/h2-3,6H,1H3,(H,7,9).
What are the key properties of (3-oxo-4H-1,4-oxazin-2-yl) acetate?
(3-oxo-4H-1,4-oxazin-2-yl) acetate has a molecular weight of 157.12 g/mol, XLogP of -0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxo-4H-1,4-oxazin-2-yl) acetate is sourced from PubChem (CID 143843630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).