ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate

C15H14BrNO3 — CID 114372237

IUPACethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccc(Br)cc2)nc1C1CC1
InChIInChI=1S/C15H14BrNO3/c1-2-19-15(18)13-12(9-3-4-9)17-14(20-13)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3
InChIKeyIAIQLTRNRAOORO-UHFFFAOYSA-N
MW336.19 g/mol
LogP4.16
Rot. Bonds4

About ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate

ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate (PubChem CID 114372237) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
PubChem CID114372237
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Nameethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
SMILESCCOC(=O)c1oc(-c2ccc(Br)cc2)nc1C1CC1
InChIInChI=1S/C15H14BrNO3/c1-2-19-15(18)13-12(9-3-4-9)17-14(20-13)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3
InChIKeyIAIQLTRNRAOORO-UHFFFAOYSA-N
XLogP4.16
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-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 2-(3-bromo-4-methylphenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372042
ethyl 2-(4-bromo-3-chlorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372053
ethyl 4-cyclopropyl-2-(4-methyl-1,3-thiazol-5-yl)-1,3-oxazole-5-carboxylate
CID 114372123
ethyl 2-(2-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372095
ethyl 2-(2-chloro-3-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372317
ethyl 4-cyclopropyl-2-(2-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 114372274
ethyl 4-cyclopropyl-2-(2-ethoxyethyl)-1,3-oxazole-5-carboxylate
CID 114372044
ethyl 4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-5-carboxylate
CID 23563116
dimethyl 2-(4-bromophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953674
ethyl 2-(4-methylphenyl)-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 57434498
ethyl 2-(4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylate
CID 103199500
ethyl 4-(bromomethyl)-2-(4-butoxyphenyl)-1,3-oxazole-5-carboxylate
CID 143299975

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate?
The IUPAC name of ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate (CID 114372237) is ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate?
The canonical SMILES for ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate is CCOC(=O)c1oc(-c2ccc(Br)cc2)nc1C1CC1.
What is the InChIKey of ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate?
The InChIKey is IAIQLTRNRAOORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c1-2-19-15(18)13-12(9-3-4-9)17-14(20-13)10-5-7-11(16)8-6-10/h5-9H,2-4H2,1H3.
What are the key properties of ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate?
ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate has a molecular weight of 336.19 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-bromophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 114372237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).