ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate

C13H13BrN2O4 — CID 66007439

IUPACethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(OC)ccc2Br)oc1N
InChIInChI=1S/C13H13BrN2O4/c1-3-19-13(17)10-11(15)20-12(16-10)8-6-7(18-2)4-5-9(8)14/h4-6H,3,15H2,1-2H3
InChIKeyDPGZBVVFVGIPJA-UHFFFAOYSA-N
MW341.16 g/mol
LogP2.87
Rot. Bonds4

About ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate

ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate (PubChem CID 66007439) has the molecular formula C13H13BrN2O4 and a molecular weight of 341.16 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate
PubChem CID66007439
Molecular FormulaC13H13BrN2O4
Molecular Weight341.16 g/mol
Exact Mass340.01
IUPAC Nameethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1nc(-c2cc(OC)ccc2Br)oc1N
InChIInChI=1S/C13H13BrN2O4/c1-3-19-13(17)10-11(15)20-12(16-10)8-6-7(18-2)4-5-9(8)14/h4-6H,3,15H2,1-2H3
InChIKeyDPGZBVVFVGIPJA-UHFFFAOYSA-N
XLogP2.87
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.16
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953853
ethyl 5-amino-2-(2-methylphenyl)-1,3-oxazole-4-carboxylate
CID 66008471
ethyl 5-amino-2-(2,5-dichlorothiophen-3-yl)-1,3-oxazole-4-carboxylate
CID 107967052
ethyl 2-bromo-5-methoxybenzoate
CID 43389585
ethyl 5-amino-2-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxylate
CID 66009506
2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373797
ethyl 5-amino-2-(3-chloro-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 81262078
ethyl 2-bromo-4-methoxybenzoate
CID 46311272
ethyl 5-amino-2-(3-methyl-1,2-oxazol-5-yl)-1,3-oxazole-4-carboxylate
CID 66008266
ethyl 5-amino-2-(3-propan-2-yloxyphenyl)-1,3-oxazole-4-carboxylate
CID 66007853
ethyl 2-(2,5-dibromophenyl)-4-ethyl-1,3-oxazole-5-carboxylate
CID 114370765
ethyl 5-amino-2-(2,5-dimethylpyrazol-3-yl)-1,3-oxazole-4-carboxylate
CID 66126518

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate (CID 66007439) is ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate is CCOC(=O)c1nc(-c2cc(OC)ccc2Br)oc1N.
What is the InChIKey of ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate?
The InChIKey is DPGZBVVFVGIPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O4/c1-3-19-13(17)10-11(15)20-12(16-10)8-6-7(18-2)4-5-9(8)14/h4-6H,3,15H2,1-2H3.
What are the key properties of ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate?
ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate has a molecular weight of 341.16 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-bromo-5-methoxyphenyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 66007439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).