ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate

C10H14N2O4 — CID 106375940

IUPACethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C10H14N2O4/c1-4-15-10(14)9(13)11-5-8-12-6(2)7(3)16-8/h4-5H2,1-3H3,(H,11,13)
InChIKeyOEBQJNJTZQZSHN-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.47
Rot. Bonds3

About ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate

ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate (PubChem CID 106375940) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
PubChem CID106375940
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate
SMILESCCOC(=O)C(=O)NCc1nc(C)c(C)o1
InChIInChI=1S/C10H14N2O4/c1-4-15-10(14)9(13)11-5-8-12-6(2)7(3)16-8/h4-5H2,1-3H3,(H,11,13)
InChIKeyOEBQJNJTZQZSHN-UHFFFAOYSA-N
XLogP0.47
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

cyclopropylmethyl N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]carbamate
CID 154804982
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopropanecarboxamide
CID 103623190
ethyl 4-[[N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]butanoate;hydroiodide
CID 109429648
ethyl 2-(4,5-dimethyl-1,3-oxazol-2-yl)acetate
CID 164562691
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylpropanamide
CID 106371786
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 113264029
3-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]hexanamide
CID 114180296
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
2-cyano-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 104696925
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703129
1-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 105055895
5-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzamide
CID 106368719

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate?
The IUPAC name of ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate (CID 106375940) is ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate.
What is the SMILES notation for ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate?
The canonical SMILES for ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate is CCOC(=O)C(=O)NCc1nc(C)c(C)o1.
What is the InChIKey of ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate?
The InChIKey is OEBQJNJTZQZSHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-4-15-10(14)9(13)11-5-8-12-6(2)7(3)16-8/h4-5H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate?
ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate has a molecular weight of 226.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoacetate is sourced from PubChem (CID 106375940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).