ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate

C12H14BrN3O3 — CID 23005611

IUPACethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2cnn(CC)c2C)c1Br
InChIInChI=1S/C12H14BrN3O3/c1-4-16-7(3)8(6-14-16)11-9(13)10(15-19-11)12(17)18-5-2/h6H,4-5H2,1-3H3
InChIKeyXJCMCGGJYXLIOG-UHFFFAOYSA-N
MW328.17 g/mol
LogP2.81
Rot. Bonds4

About ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate

ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate (PubChem CID 23005611) has the molecular formula C12H14BrN3O3 and a molecular weight of 328.17 g/mol. Its IUPAC name is ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
PubChem CID23005611
Molecular FormulaC12H14BrN3O3
Molecular Weight328.17 g/mol
Exact Mass327.02
IUPAC Nameethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(-c2cnn(CC)c2C)c1Br
InChIInChI=1S/C12H14BrN3O3/c1-4-16-7(3)8(6-14-16)11-9(13)10(15-19-11)12(17)18-5-2/h6H,4-5H2,1-3H3
InChIKeyXJCMCGGJYXLIOG-UHFFFAOYSA-N
XLogP2.81
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.17
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-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-bromo-5-[4-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylate
CID 66793071
ethyl 4-bromo-5-ethyl-1,2-oxazole-3-carboxylate
CID 23006238
5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate
CID 7017793
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-methyl-1,2-oxazole-3-carboxylate
CID 68805787
ethyl 4-(2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxylate
CID 102317194
ethyl 5-bromo-4-methyl-1,2-benzoxazole-3-carboxylate
CID 134129683
ethyl 1-ethyl-6-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 14590536
ethyl 1,5-dimethylimidazole-4-carboxylate
CID 13143714
sodium;diethyl 1-ethylpyrazole-4,5-dicarboxylate;ethanolate
CID 159056664
ethyl 4-bromo-1-butylpyrazole-5-carboxylate
CID 122171224

Frequently Asked Questions

What is the IUPAC name of ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate (CID 23005611) is ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(-c2cnn(CC)c2C)c1Br.
What is the InChIKey of ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
The InChIKey is XJCMCGGJYXLIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O3/c1-4-16-7(3)8(6-14-16)11-9(13)10(15-19-11)12(17)18-5-2/h6H,4-5H2,1-3H3.
What are the key properties of ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate?
ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate has a molecular weight of 328.17 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-bromo-5-(1-ethyl-5-methylpyrazol-4-yl)-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 23005611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).