ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate

C12H9BrClNO4 — CID 113376969

IUPACethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H9BrClNO4/c1-2-17-11(16)9-6-18-12(15-9)19-10-4-3-7(13)5-8(10)14/h3-6H,2H2,1H3
InChIKeyFFIFQBACHOAWMR-UHFFFAOYSA-N
MW346.56 g/mol
LogP4.06
Rot. Bonds4

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

ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate (PubChem CID 113376969) has the molecular formula C12H9BrClNO4 and a molecular weight of 346.56 g/mol. Its IUPAC name is ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate
PubChem CID113376969
Molecular FormulaC12H9BrClNO4
Molecular Weight346.56 g/mol
Exact Mass344.94
IUPAC Nameethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate
SMILESCCOC(=O)c1coc(Oc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H9BrClNO4/c1-2-17-11(16)9-6-18-12(15-9)19-10-4-3-7(13)5-8(10)14/h3-6H,2H2,1H3
InChIKeyFFIFQBACHOAWMR-UHFFFAOYSA-N
XLogP4.06
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.56
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2,4-dimethylphenoxy)-1,3-oxazole-4-carboxylate
CID 113376952
ethyl 2-(3-amino-5-bromophenoxy)-1,3-oxazole-4-carboxylate
CID 103589113
ethyl 2-[4-(aminomethyl)phenoxy]-1,3-oxazole-4-carboxylate
CID 106485684
ethyl 2-(4-bromo-2-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 142682727
ethyl 2-(5-bromo-2-methyl-N-propylanilino)-1,3-oxazole-4-carboxylate
CID 168985682
ethyl 2-(2-chlorophenyl)-1,3-oxazole-4-carboxylate
CID 53407303
ethyl 2-[(3,3-dimethyl-1,2-dihydroinden-5-yl)oxy]-1,3-oxazole-4-carboxylate
CID 68967253
ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447
(4-bromo-2-chlorophenyl) 4-methylbenzoate
CID 833480
ethyl 2-(4-chloro-3-fluoroanilino)-1,3-oxazole-4-carboxylate
CID 113377178
ethyl 4-[2-[2-[2-(4-bromo-2-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932707
ethyl 2-(5-bromo-2-chloroanilino)-1,3-thiazole-4-carboxylate
CID 80568492

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate?
The IUPAC name of ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate (CID 113376969) is ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate?
The canonical SMILES for ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate is CCOC(=O)c1coc(Oc2ccc(Br)cc2Cl)n1.
What is the InChIKey of ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate?
The InChIKey is FFIFQBACHOAWMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClNO4/c1-2-17-11(16)9-6-18-12(15-9)19-10-4-3-7(13)5-8(10)14/h3-6H,2H2,1H3.
What are the key properties of ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate?
ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate has a molecular weight of 346.56 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromo-2-chlorophenoxy)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 113376969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).