2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate

C13H16N2O5 — CID 82345282

IUPAC2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCCOCCOC(=O)Cn1c(=O)oc2cccc(N)c21
InChIInChI=1S/C13H16N2O5/c1-2-18-6-7-19-11(16)8-15-12-9(14)4-3-5-10(12)20-13(15)17/h3-5H,2,6-8,14H2,1H3
InChIKeyXRSOPEHMVYKHPO-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.76
Rot. Bonds6

About 2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate

2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate (PubChem CID 82345282) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
PubChem CID82345282
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
SMILESCCOCCOC(=O)Cn1c(=O)oc2cccc(N)c21
InChIInChI=1S/C13H16N2O5/c1-2-18-6-7-19-11(16)8-15-12-9(14)4-3-5-10(12)20-13(15)17/h3-5H,2,6-8,14H2,1H3
InChIKeyXRSOPEHMVYKHPO-UHFFFAOYSA-N
XLogP0.76
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate
CID 82345280
4-amino-3-butyl-1,3-benzoxazol-2-one
CID 82345336
4-amino-3-(3-phenoxypropyl)-1,3-benzoxazol-2-one
CID 82345355
4-amino-3-(3-hydroxypropyl)-1,3-benzoxazol-2-one
CID 82345373
butyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345287
2-ethoxyethyl 2-(5-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)acetate
CID 82345601
methyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345286
propan-2-yl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 82345297
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
methyl 3-ethyl-2-oxo-1,3-benzoxazole-4-carboxylate
CID 58297706
propyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051968
2-ethoxyethyl 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 24518425

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate?
The IUPAC name of 2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate (CID 82345282) is 2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate.
What is the SMILES notation for 2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate?
The canonical SMILES for 2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate is CCOCCOC(=O)Cn1c(=O)oc2cccc(N)c21.
What is the InChIKey of 2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate?
The InChIKey is XRSOPEHMVYKHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-2-18-6-7-19-11(16)8-15-12-9(14)4-3-5-10(12)20-13(15)17/h3-5H,2,6-8,14H2,1H3.
What are the key properties of 2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate?
2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate has a molecular weight of 280.28 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(4-amino-2-oxo-1,3-benzoxazol-3-yl)acetate is sourced from PubChem (CID 82345282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).