ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate

C10H14N2O4 — CID 15007131

IUPACethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cnoc1C
InChIInChI=1S/C10H14N2O4/c1-3-15-9(13)4-5-11-10(14)8-6-12-16-7(8)2/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyQNMVXNWMYDEFKT-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.67
Rot. Bonds5

About ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate

ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate (PubChem CID 15007131) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
PubChem CID15007131
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cnoc1C
InChIInChI=1S/C10H14N2O4/c1-3-15-9(13)4-5-11-10(14)8-6-12-16-7(8)2/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyQNMVXNWMYDEFKT-UHFFFAOYSA-N
XLogP0.67
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate?
The IUPAC name of ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate (CID 15007131) is ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate is CCOC(=O)CCNC(=O)c1cnoc1C.
What is the InChIKey of ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate?
The InChIKey is QNMVXNWMYDEFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-15-9(13)4-5-11-10(14)8-6-12-16-7(8)2/h6H,3-5H2,1-2H3,(H,11,14).
What are the key properties of ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate?
ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate has a molecular weight of 226.23 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 15007131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).