ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate

C11H14N2O4 — CID 79001277

IUPACethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccon1
InChIInChI=1S/C11H14N2O4/c1-3-6-13(8-10(14)16-4-2)11(15)9-5-7-17-12-9/h3,5,7H,1,4,6,8H2,2H3
InChIKeyFUZIPWYATJARTN-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.87
Rot. Bonds6

About ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate

ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate (PubChem CID 79001277) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
PubChem CID79001277
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Nameethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate
SMILESC=CCN(CC(=O)OCC)C(=O)c1ccon1
InChIInChI=1S/C11H14N2O4/c1-3-6-13(8-10(14)16-4-2)11(15)9-5-7-17-12-9/h3,5,7H,1,4,6,8H2,2H3
InChIKeyFUZIPWYATJARTN-UHFFFAOYSA-N
XLogP0.87
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)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

ethyl 2-[(6-oxo-1H-pyridazine-3-carbonyl)-prop-2-enylamino]acetate
CID 113331322
ethyl 2-[(5-fluoropyridine-2-carbonyl)-prop-2-enylamino]acetate
CID 113411906
ethyl 2-[prop-2-enyl(thiophene-3-carbonyl)amino]acetate
CID 78978395
ethyl 2-[(1,5-dimethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331339
ethyl 2-[(4-hydroxy-2-methylbenzoyl)-prop-2-enylamino]acetate
CID 103874553
ethyl 2-[(1,3-dimethylpyrazole-4-carbonyl)-prop-2-enylamino]acetate
CID 113235364
ethyl 2-[(3-fluoro-4-methylbenzoyl)-prop-2-enylamino]acetate
CID 78978449
ethyl 2-[[4-(methylsulfanylmethyl)benzoyl]-prop-2-enylamino]acetate
CID 78978188
ethyl 2-[(1-ethylpyrrole-2-carbonyl)-prop-2-enylamino]acetate
CID 113331340
ethyl 2-[1,3-dihydro-2-benzofuran-5-carbonyl(prop-2-enyl)amino]acetate
CID 78986459
ethyl 2-[(4-chloro-2-hydroxybenzoyl)-prop-2-enylamino]acetate
CID 78978801
ethyl 2-[prop-2-enyl(3-pyridin-4-ylpropanoyl)amino]acetate
CID 115538896

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate (CID 79001277) is ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate is C=CCN(CC(=O)OCC)C(=O)c1ccon1.
What is the InChIKey of ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate?
The InChIKey is FUZIPWYATJARTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-3-6-13(8-10(14)16-4-2)11(15)9-5-7-17-12-9/h3,5,7H,1,4,6,8H2,2H3.
What are the key properties of ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate?
ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate has a molecular weight of 238.24 g/mol, XLogP of 0.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1,2-oxazole-3-carbonyl(prop-2-enyl)amino]acetate is sourced from PubChem (CID 79001277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).