methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate

C17H21NO6 — CID 68718371

IUPACmethyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate
SMILESCOC(=O)C(c1ccc(C)cc1)N1CC(OC)OC2COC(=O)C21
InChIInChI=1S/C17H21NO6/c1-10-4-6-11(7-5-10)14(16(19)22-3)18-8-13(21-2)24-12-9-23-17(20)15(12)18/h4-7,12-15H,8-9H2,1-3H3
InChIKeyZDGJHMMJLPJPFO-UHFFFAOYSA-N
MW335.36 g/mol
LogP0.81
Rot. Bonds4

About methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate

methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate (PubChem CID 68718371) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate
PubChem CID68718371
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Namemethyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate
SMILESCOC(=O)C(c1ccc(C)cc1)N1CC(OC)OC2COC(=O)C21
InChIInChI=1S/C17H21NO6/c1-10-4-6-11(7-5-10)14(16(19)22-3)18-8-13(21-2)24-12-9-23-17(20)15(12)18/h4-7,12-15H,8-9H2,1-3H3
InChIKeyZDGJHMMJLPJPFO-UHFFFAOYSA-N
XLogP0.81
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate?
The IUPAC name of methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate (CID 68718371) is methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate.
What is the SMILES notation for methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate?
The canonical SMILES for methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate is COC(=O)C(c1ccc(C)cc1)N1CC(OC)OC2COC(=O)C21.
What is the InChIKey of methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate?
The InChIKey is ZDGJHMMJLPJPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c1-10-4-6-11(7-5-10)14(16(19)22-3)18-8-13(21-2)24-12-9-23-17(20)15(12)18/h4-7,12-15H,8-9H2,1-3H3.
What are the key properties of methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate?
methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate has a molecular weight of 335.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-5-oxo-3,4a,7,7a-tetrahydro-2H-furo[3,4-b][1,4]oxazin-4-yl)-2-(4-methylphenyl)acetate is sourced from PubChem (CID 68718371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).