ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate

C8H12N2O3 — CID 105441043

IUPACethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1CC
InChIInChI=1S/C8H12N2O3/c1-3-5-6(8(11)12-4-2)10-13-7(5)9/h3-4,9H2,1-2H3
InChIKeyOGMHWLFXCADJLV-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.00
Rot. Bonds3

About ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate

ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate (PubChem CID 105441043) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
PubChem CID105441043
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Nameethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1CC
InChIInChI=1S/C8H12N2O3/c1-3-5-6(8(11)12-4-2)10-13-7(5)9/h3-4,9H2,1-2H3
InChIKeyOGMHWLFXCADJLV-UHFFFAOYSA-N
XLogP1.00
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-4-methyl-1,2-oxazole-3-carboxylate
CID 68805787
ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate
CID 105465922
ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
CID 105481585
ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 102317194
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
CID 23006238
ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate
CID 118956093
ethyl 4-acetyl-5-bromo-1,2-oxazole-3-carboxylate
CID 70451486
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
CID 91872842
ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate
CID 118511048
4-ethyl-3-(2-methoxyethyl)-1,2-oxazol-5-amine
CID 43670965

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate (CID 105441043) is ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(N)c1CC.
What is the InChIKey of ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate?
The InChIKey is OGMHWLFXCADJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-5-6(8(11)12-4-2)10-13-7(5)9/h3-4,9H2,1-2H3.
What are the key properties of ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate?
ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate has a molecular weight of 184.19 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 105441043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).