benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate

C24H25NO6 — CID 19354621

IUPACbenzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
SMILESCC(=O)OCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)OCc2ccccc2)CO1
InChIInChI=1S/C24H25NO6/c1-17(26)29-15-20-21(19-12-8-5-9-13-19)22(27)25(16-31-20)24(2,3)23(28)30-14-18-10-6-4-7-11-18/h4-13H,14-16H2,1-3H3
InChIKeyGBGIYBRMAWTQTF-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.30
Rot. Bonds7

About benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate

benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate (PubChem CID 19354621) has the molecular formula C24H25NO6 and a molecular weight of 423.47 g/mol. Its IUPAC name is benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate.

Molecular Properties

Compound Namebenzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
PubChem CID19354621
Molecular FormulaC24H25NO6
Molecular Weight423.47 g/mol
Exact Mass423.17
IUPAC Namebenzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate
SMILESCC(=O)OCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)OCc2ccccc2)CO1
InChIInChI=1S/C24H25NO6/c1-17(26)29-15-20-21(19-12-8-5-9-13-19)22(27)25(16-31-20)24(2,3)23(28)30-14-18-10-6-4-7-11-18/h4-13H,14-16H2,1-3H3
InChIKeyGBGIYBRMAWTQTF-UHFFFAOYSA-N
XLogP3.30
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate?
The IUPAC name of benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate (CID 19354621) is benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate.
What is the SMILES notation for benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate?
The canonical SMILES for benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate is CC(=O)OCC1=C(c2ccccc2)C(=O)N(C(C)(C)C(=O)OCc2ccccc2)CO1.
What is the InChIKey of benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate?
The InChIKey is GBGIYBRMAWTQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO6/c1-17(26)29-15-20-21(19-12-8-5-9-13-19)22(27)25(16-31-20)24(2,3)23(28)30-14-18-10-6-4-7-11-18/h4-13H,14-16H2,1-3H3.
What are the key properties of benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate?
benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate has a molecular weight of 423.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[6-(acetyloxymethyl)-4-oxo-5-phenyl-2H-1,3-oxazin-3-yl]-2-methylpropanoate is sourced from PubChem (CID 19354621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).