methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate

C11H11NO5 — CID 17233891

IUPACmethyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate
SMILESCOC(=O)COc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C11H11NO5/c1-15-11(14)6-16-7-2-3-9-8(4-7)12-10(13)5-17-9/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyBJBONRKSQLAZQO-UHFFFAOYSA-N
MW237.21 g/mol
LogP0.57
Rot. Bonds3

About methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate

methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate (PubChem CID 17233891) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate
PubChem CID17233891
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Namemethyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate
SMILESCOC(=O)COc1ccc2c(c1)NC(=O)CO2
InChIInChI=1S/C11H11NO5/c1-15-11(14)6-16-7-2-3-9-8(4-7)12-10(13)5-17-9/h2-4H,5-6H2,1H3,(H,12,13)
InChIKeyBJBONRKSQLAZQO-UHFFFAOYSA-N
XLogP0.57
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate with MolForge

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Related Compounds

6-methoxy-4H-1,4-benzoxazin-3-one
CID 13204952
methyl 4-oxo-4-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 15035901
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-ethylphenoxy)acetate
CID 2370662
methyl 4-oxo-4-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylamino]butanoate
CID 110738387
2-(4-fluorophenoxy)-N-[2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]acetamide
CID 110789954
methyl 3-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethylamino]propanoate
CID 43322249
methyl 1-(3-oxo-4H-1,4-benzoxazin-6-yl)cyclopropane-1-carboxylate
CID 116964003
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 23826669
methyl 2-oxo-2-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]acetate
CID 115142185
methyl 2-(3-oxo-4H-1,4-benzoxazin-6-yl)butanoate
CID 116964414
N-(2-methoxyethyl)-3-oxo-4H-1,4-benzoxazine-6-carboxamide
CID 83274535

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate?
The IUPAC name of methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate (CID 17233891) is methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate?
The canonical SMILES for methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate is COC(=O)COc1ccc2c(c1)NC(=O)CO2.
What is the InChIKey of methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate?
The InChIKey is BJBONRKSQLAZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-15-11(14)6-16-7-2-3-9-8(4-7)12-10(13)5-17-9/h2-4H,5-6H2,1H3,(H,12,13).
What are the key properties of methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate?
methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate has a molecular weight of 237.21 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-oxo-4H-1,4-benzoxazin-6-yl)oxy]acetate is sourced from PubChem (CID 17233891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).