ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate

C8H10BrNO3 — CID 23006238

IUPACethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(CC)c1Br
InChIInChI=1S/C8H10BrNO3/c1-3-5-6(9)7(10-13-5)8(11)12-4-2/h3-4H2,1-2H3
InChIKeyLKHSPMWZZAXEDO-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.18
Rot. Bonds3

About ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate

ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate (PubChem CID 23006238) has the molecular formula C8H10BrNO3 and a molecular weight of 248.08 g/mol. Its IUPAC name is ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
PubChem CID23006238
Molecular FormulaC8H10BrNO3
Molecular Weight248.08 g/mol
Exact Mass246.98
IUPAC Nameethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(CC)c1Br
InChIInChI=1S/C8H10BrNO3/c1-3-5-6(9)7(10-13-5)8(11)12-4-2/h3-4H2,1-2H3
InChIKeyLKHSPMWZZAXEDO-UHFFFAOYSA-N
XLogP2.18
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-acetyl-5-bromo-1,2-oxazole-3-carboxylate
CID 70451486
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-methyl-1,2-oxazole-3-carboxylate
CID 68805787
ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 102317194
ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
CID 23005611
ethyl 4-bromo-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylate
CID 66793071
ethyl 5-bromo-4-methyl-1,2-benzoxazole-3-carboxylate
CID 134129683
ethyl 5-amino-4-tert-butyl-1,2-oxazole-3-carboxylate
CID 105465922
ethyl 4-amino-5-propan-2-yl-1,2-oxazole-3-carboxylate
CID 118956093
ethyl 5-ethenyl-4-methyl-1,2-oxazole-3-carboxylate
CID 118511048
ethyl 5-(aminomethyl)-3-methyl-1,2-oxazole-4-carboxylate
CID 10103857

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate (CID 23006238) is ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(CC)c1Br.
What is the InChIKey of ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate?
The InChIKey is LKHSPMWZZAXEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO3/c1-3-5-6(9)7(10-13-5)8(11)12-4-2/h3-4H2,1-2H3.
What are the key properties of ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate?
ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate has a molecular weight of 248.08 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 23006238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).