[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

C21H17NO7 — CID 2129016

IUPAC[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)coc2c1
InChIInChI=1S/C21H17NO7/c1-26-14-3-4-15-13(9-27-19(15)8-14)7-21(25)29-10-17(23)12-2-5-18-16(6-12)22-20(24)11-28-18/h2-6,8-9H,7,10-11H2,1H3,(H,22,24)
InChIKeySZIXKFSRHZXEHI-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.74
Rot. Bonds6

About [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (PubChem CID 2129016) has the molecular formula C21H17NO7 and a molecular weight of 395.37 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
PubChem CID2129016
Molecular FormulaC21H17NO7
Molecular Weight395.37 g/mol
Exact Mass395.10
IUPAC Name[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
SMILESCOc1ccc2c(CC(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)coc2c1
InChIInChI=1S/C21H17NO7/c1-26-14-3-4-15-13(9-27-19(15)8-14)7-21(25)29-10-17(23)12-2-5-18-16(6-12)22-20(24)11-28-18/h2-6,8-9H,7,10-11H2,1H3,(H,22,24)
InChIKeySZIXKFSRHZXEHI-UHFFFAOYSA-N
XLogP2.74
TPSA104.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate with MolForge

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Related Compounds

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(5,6-dimethyl-1-benzofuran-3-yl)acetate
CID 7756062
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548667
[2-(3,4-dichlorophenyl)-2-oxoethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 42983061
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-ethoxyphenyl)acetate
CID 22830641
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-fluorophenyl)acetate
CID 3979894
6-(2-aminooxyacetyl)-4H-1,4-benzoxazin-3-one
CID 83967692
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-ethylphenoxy)acetate
CID 2370662
[2-(4-methoxyphenyl)-2-oxoethyl] 2-(6-ethyl-1-benzofuran-3-yl)acetate
CID 8525475
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylphenyl)acetate
CID 23934910
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 35663121
6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate (CID 2129016) is [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is COc1ccc2c(CC(=O)OCC(=O)c3ccc4c(c3)NC(=O)CO4)coc2c1.
What is the InChIKey of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
The InChIKey is SZIXKFSRHZXEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO7/c1-26-14-3-4-15-13(9-27-19(15)8-14)7-21(25)29-10-17(23)12-2-5-18-16(6-12)22-20(24)11-28-18/h2-6,8-9H,7,10-11H2,1H3,(H,22,24).
What are the key properties of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate?
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate has a molecular weight of 395.37 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate is sourced from PubChem (CID 2129016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).