ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate

C9H13N3O4 — CID 79493406

IUPACethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCc1ccon1
InChIInChI=1S/C9H13N3O4/c1-2-15-8(13)6-11-9(14)10-5-7-3-4-16-12-7/h3-4H,2,5-6H2,1H3,(H2,10,11,14)
InChIKeyMYDNNWHERBLYOF-UHFFFAOYSA-N
MW227.22 g/mol
LogP0.04
Rot. Bonds5

About ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate

ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate (PubChem CID 79493406) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
PubChem CID79493406
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Nameethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate
SMILESCCOC(=O)CNC(=O)NCc1ccon1
InChIInChI=1S/C9H13N3O4/c1-2-15-8(13)6-11-9(14)10-5-7-3-4-16-12-7/h3-4H,2,5-6H2,1H3,(H2,10,11,14)
InChIKeyMYDNNWHERBLYOF-UHFFFAOYSA-N
XLogP0.04
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)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

1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
ethyl 2-[(6-methyl-2-pyridinyl)methylcarbamoylamino]acetate
CID 55057245
1-[2-(4-tert-butylphenyl)-2-methylpropyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 91646314
ethyl 2-[(3-methylthiophen-2-yl)methylcarbamoylamino]acetate
CID 112730433
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]butanoic acid
CID 81177239
ethyl 2-[(5-ethyl-1,3-thiazol-2-yl)methylcarbamoylamino]acetate
CID 113245875
ethyl 2-(1,2-oxazol-3-ylmethylamino)pentanoate
CID 79502591
ethyl 2-(1-benzofuran-5-ylmethylcarbamoylamino)acetate
CID 67258307
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325404
1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 131086599

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate?
The IUPAC name of ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate (CID 79493406) is ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate.
What is the SMILES notation for ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate?
The canonical SMILES for ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate is CCOC(=O)CNC(=O)NCc1ccon1.
What is the InChIKey of ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate?
The InChIKey is MYDNNWHERBLYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-2-15-8(13)6-11-9(14)10-5-7-3-4-16-12-7/h3-4H,2,5-6H2,1H3,(H2,10,11,14).
What are the key properties of ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate?
ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate has a molecular weight of 227.22 g/mol, XLogP of 0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetate is sourced from PubChem (CID 79493406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).