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

C10H16N2O3 — CID 105465922

IUPACethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1C(C)(C)C
InChIInChI=1S/C10H16N2O3/c1-5-14-9(13)7-6(10(2,3)4)8(11)15-12-7/h5,11H2,1-4H3
InChIKeyGNKOXPZPAMLVRL-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.73
Rot. Bonds2

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

ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate (PubChem CID 105465922) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate
PubChem CID105465922
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(N)c1C(C)(C)C
InChIInChI=1S/C10H16N2O3/c1-5-14-9(13)7-6(10(2,3)4)8(11)15-12-7/h5,11H2,1-4H3
InChIKeyGNKOXPZPAMLVRL-UHFFFAOYSA-N
XLogP1.73
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-amino-4-(trifluoromethyl)-1,2-oxazole-3-carboxylate
CID 105481585
ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
CID 105441043
ethyl 5-amino-4-methyl-1,2-oxazole-3-carboxylate
CID 68805787
ethyl 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate
CID 118956093
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-amino-4-(3,4-dichlorophenyl)-1,2-oxazole-3-carboxylate
CID 91872842
ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
CID 23006238
ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 102317194
ethyl 4-acetyl-5-bromo-1,2-oxazole-3-carboxylate
CID 70451486
ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate
CID 118511048
ethyl 5-amino-3-diethoxyphosphoryl-1,2-oxazole-4-carboxylate
CID 15311882

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate (CID 105465922) is ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(N)c1C(C)(C)C.
What is the InChIKey of ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate?
The InChIKey is GNKOXPZPAMLVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-14-9(13)7-6(10(2,3)4)8(11)15-12-7/h5,11H2,1-4H3.
What are the key properties of ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate?
ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 105465922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).