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

C25H21NO7 — CID 23826669

IUPAC[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESO=C1COc2ccc(C(=O)COC(=O)COc3ccc(OCc4ccccc4)cc3)cc2N1
InChIInChI=1S/C25H21NO7/c27-22(18-6-11-23-21(12-18)26-24(28)15-32-23)14-33-25(29)16-31-20-9-7-19(8-10-20)30-13-17-4-2-1-3-5-17/h1-12H,13-16H2,(H,26,28)
InChIKeyIMBRZEKGFLZSTQ-UHFFFAOYSA-N
MW447.44 g/mol
LogP3.40
Rot. Bonds9

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

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 23826669) has the molecular formula C25H21NO7 and a molecular weight of 447.44 g/mol. Its IUPAC name is [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID23826669
Molecular FormulaC25H21NO7
Molecular Weight447.44 g/mol
Exact Mass447.13
IUPAC Name[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESO=C1COc2ccc(C(=O)COC(=O)COc3ccc(OCc4ccccc4)cc3)cc2N1
InChIInChI=1S/C25H21NO7/c27-22(18-6-11-23-21(12-18)26-24(28)15-32-23)14-33-25(29)16-31-20-9-7-19(8-10-20)30-13-17-4-2-1-3-5-17/h1-12H,13-16H2,(H,26,28)
InChIKeyIMBRZEKGFLZSTQ-UHFFFAOYSA-N
XLogP3.40
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-ethylphenoxy)acetate
CID 2370662
[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-(4-phenylphenyl)acetate
CID 23934910
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(2-fluorophenyl)acetate
CID 3979894
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 35663121
6-[(E)-3-(3-phenylmethoxyphenyl)prop-2-enoyl]-4H-1,4-benzoxazin-3-one
CID 7638145
6-(2-aminooxyacetyl)-4H-1,4-benzoxazin-3-one
CID 83967692
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-phenyl-2-phenylsulfanylacetate
CID 23734558
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-chlorobenzoate
CID 2409679
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-methoxyphenyl)sulfanylacetate
CID 8548667
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(benzotriazol-1-yl)acetate
CID 4104850
[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 8675785

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 23826669) is [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate is O=C1COc2ccc(C(=O)COC(=O)COc3ccc(OCc4ccccc4)cc3)cc2N1.
What is the InChIKey of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is IMBRZEKGFLZSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO7/c27-22(18-6-11-23-21(12-18)26-24(28)15-32-23)14-33-25(29)16-31-20-9-7-19(8-10-20)30-13-17-4-2-1-3-5-17/h1-12H,13-16H2,(H,26,28).
What are the key properties of [2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 447.44 g/mol, XLogP of 3.40, 9 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-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 23826669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).