ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate

C12H12N2O3 — CID 2758797

IUPACethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(N)cc2)n1
InChIInChI=1S/C12H12N2O3/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2,13H2,1H3
InChIKeyYQVSEWFNEJKQNV-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.10
Rot. Bonds3

About ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate

ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate (PubChem CID 2758797) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate
PubChem CID2758797
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(-c2ccc(N)cc2)n1
InChIInChI=1S/C12H12N2O3/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2,13H2,1H3
InChIKeyYQVSEWFNEJKQNV-UHFFFAOYSA-N
XLogP2.10
TPSA78.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate (CID 2758797) is ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(-c2ccc(N)cc2)n1.
What is the InChIKey of ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is YQVSEWFNEJKQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-16-12(15)10-7-17-11(14-10)8-3-5-9(13)6-4-8/h3-7H,2,13H2,1H3.
What are the key properties of ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate?
ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminophenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 2758797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).