2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine

C11H10BrFN2O — CID 65179184

IUPAC2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(-c2ccc(Br)c(F)c2)o1
InChIInChI=1S/C11H10BrFN2O/c12-8-2-1-7(5-9(8)13)10-6-15-11(16-10)3-4-14/h1-2,5-6H,3-4,14H2
InChIKeyOFUJLVZHSXPICB-UHFFFAOYSA-N
MW285.12 g/mol
LogP2.74
Rot. Bonds3

About 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine

2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 65179184) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID65179184
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESNCCc1ncc(-c2ccc(Br)c(F)c2)o1
InChIInChI=1S/C11H10BrFN2O/c12-8-2-1-7(5-9(8)13)10-6-15-11(16-10)3-4-14/h1-2,5-6H,3-4,14H2
InChIKeyOFUJLVZHSXPICB-UHFFFAOYSA-N
XLogP2.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine 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

2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65182798
3-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]-N-propylpropan-1-amine
CID 65187021
2-[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 115354580
2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62071467
3-[5-(3-chloro-4-fluorophenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 82879725
3-[5-(3-bromo-4-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65178654
2-[5-(2-bromo-5-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65179079
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
CID 65178588
2-[5-(3-chloro-4-ethoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 95471843
2-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 107952761
3-(5-naphthalen-2-yl-1,3-oxazol-2-yl)propan-1-amine
CID 65179310
[5-(6-bromonaphthalen-2-yl)-1,3-oxazol-2-yl]methanamine
CID 113292812

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine (CID 65179184) is 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine is NCCc1ncc(-c2ccc(Br)c(F)c2)o1.
What is the InChIKey of 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is OFUJLVZHSXPICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c12-8-2-1-7(5-9(8)13)10-6-15-11(16-10)3-4-14/h1-2,5-6H,3-4,14H2.
What are the key properties of 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 285.12 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromo-3-fluorophenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 65179184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).