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

C9H14N2O3 — CID 118956093

IUPACethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(C)C)c1N
InChIInChI=1S/C9H14N2O3/c1-4-13-9(12)7-6(10)8(5(2)3)14-11-7/h5H,4,10H2,1-3H3
InChIKeyUTHLSXJYAQLHEZ-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.56
Rot. Bonds3

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

ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate (PubChem CID 118956093) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate
PubChem CID118956093
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Nameethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(C)C)c1N
InChIInChI=1S/C9H14N2O3/c1-4-13-9(12)7-6(10)8(5(2)3)14-11-7/h5H,4,10H2,1-3H3
InChIKeyUTHLSXJYAQLHEZ-UHFFFAOYSA-N
XLogP1.56
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.56
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 4,5-dimethyl-1,2-oxazole-3-carboxylate
CID 11629661
ethyl 5-amino-4-ethyl-1,2-oxazole-3-carboxylate
CID 105441043
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
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 3-(2-chloro-6-methylphenyl)-5-propan-2-yl-1,2-oxazole-4-carboxylate
CID 142332307
ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 102317194
ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
CID 23006238
ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 57434498
ethyl 4-acetyl-5-bromo-1,2-oxazole-3-carboxylate
CID 70451486
ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate
CID 118511048

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate (CID 118956093) is ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(C(C)C)c1N.
What is the InChIKey of ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate?
The InChIKey is UTHLSXJYAQLHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-13-9(12)7-6(10)8(5(2)3)14-11-7/h5H,4,10H2,1-3H3.
What are the key properties of ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate?
ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate has a molecular weight of 198.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 118956093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).