ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate

C11H10N2O5 — CID 53304199

IUPACethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate
SMILESCCOC(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H10N2O5/c1-2-17-10(15)9(14)12-6-3-4-7-8(5-6)18-11(16)13-7/h3-5H,2H2,1H3,(H,12,14)(H,13,16)
InChIKeyWPXDIQHMSNXANF-UHFFFAOYSA-N
MW250.21 g/mol
LogP0.62
Rot. Bonds2

About ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate

ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate (PubChem CID 53304199) has the molecular formula C11H10N2O5 and a molecular weight of 250.21 g/mol. Its IUPAC name is ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate
PubChem CID53304199
Molecular FormulaC11H10N2O5
Molecular Weight250.21 g/mol
Exact Mass250.06
IUPAC Nameethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate
SMILESCCOC(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1
InChIInChI=1S/C11H10N2O5/c1-2-17-10(15)9(14)12-6-3-4-7-8(5-6)18-11(16)13-7/h3-5H,2H2,1H3,(H,12,14)(H,13,16)
InChIKeyWPXDIQHMSNXANF-UHFFFAOYSA-N
XLogP0.62
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 115175381
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-2-sulfanylacetamide
CID 115166967
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]butanoate
CID 110662078
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
3-chloro-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 11543243
3-(4-methylphenyl)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)propanamide
CID 110616374
2-amino-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]propanoic acid
CID 115179135
4-(methylamino)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)butanamide
CID 110838149
2-methyl-N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3-phenylpropanamide
CID 110608124
2-(3-methylphenoxy)-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 110662124
N-(2-oxo-3H-1,3-benzoxazol-6-yl)piperidine-4-carboxamide
CID 110837964

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate?
The IUPAC name of ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate (CID 53304199) is ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate.
What is the SMILES notation for ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate?
The canonical SMILES for ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate is CCOC(=O)C(=O)Nc1ccc2[nH]c(=O)oc2c1.
What is the InChIKey of ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate?
The InChIKey is WPXDIQHMSNXANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5/c1-2-17-10(15)9(14)12-6-3-4-7-8(5-6)18-11(16)13-7/h3-5H,2H2,1H3,(H,12,14)(H,13,16).
What are the key properties of ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate?
ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate has a molecular weight of 250.21 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-2-[(2-oxo-3H-1,3-benzoxazol-6-yl)amino]acetate is sourced from PubChem (CID 53304199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).