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

C12H11BrN2O4 — CID 103589113

IUPACethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Oc2cc(N)cc(Br)c2)n1
InChIInChI=1S/C12H11BrN2O4/c1-2-17-11(16)10-6-18-12(15-10)19-9-4-7(13)3-8(14)5-9/h3-6H,2,14H2,1H3
InChIKeySDRIAZYBHVJOEF-UHFFFAOYSA-N
MW327.13 g/mol
LogP2.99
Rot. Bonds4

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

ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate (PubChem CID 103589113) has the molecular formula C12H11BrN2O4 and a molecular weight of 327.13 g/mol. Its IUPAC name is ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate
PubChem CID103589113
Molecular FormulaC12H11BrN2O4
Molecular Weight327.13 g/mol
Exact Mass325.99
IUPAC Nameethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Oc2cc(N)cc(Br)c2)n1
InChIInChI=1S/C12H11BrN2O4/c1-2-17-11(16)10-6-18-12(15-10)19-9-4-7(13)3-8(14)5-9/h3-6H,2,14H2,1H3
InChIKeySDRIAZYBHVJOEF-UHFFFAOYSA-N
XLogP2.99
TPSA87.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.13
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate
CID 113376969
ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate
CID 106485684
ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate
CID 113376952
ethyl 2-[(3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-1,3-oxazole-4-carboxylate
CID 68967253
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 2-(2-aminocyclohexyl)oxy-1,3-oxazole-4-carboxylate
CID 113395505
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
ethyl 2-[3-(2-methoxyethoxy)propoxy]-1,3-oxazole-4-carboxylate
CID 103401572
ethyl 2-[4-(3-aminophenoxy)pyrimidin-2-yl]-1,3-oxazole-4-carboxylate
CID 58917188
ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate
CID 168985682
ethyl 2-methylsulfonyl-1,3-oxazole-4-carboxylate
CID 151928550
ethanol;ethyl 2-amino-1,3-oxazole-4-carboxylate;ethyl 3-bromo-2-oxopropanoate;urea
CID 160902760

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate (CID 103589113) is ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(Oc2cc(N)cc(Br)c2)n1.
What is the InChIKey of ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate?
The InChIKey is SDRIAZYBHVJOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O4/c1-2-17-11(16)10-6-18-12(15-10)19-9-4-7(13)3-8(14)5-9/h3-6H,2,14H2,1H3.
What are the key properties of ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate?
ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate has a molecular weight of 327.13 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 103589113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).