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

C11H10BrFN2O — CID 107952706

IUPAC1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2ccc(F)c(Br)c2)o1
InChIInChI=1S/C11H10BrFN2O/c1-6(14)11-15-5-10(16-11)7-2-3-9(13)8(12)4-7/h2-6H,14H2,1H3
InChIKeyUXRZQYSHOXGASZ-UHFFFAOYSA-N
MW285.12 g/mol
LogP3.26
Rot. Bonds2

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

1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine (PubChem CID 107952706) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
PubChem CID107952706
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine
SMILESCC(N)c1ncc(-c2ccc(F)c(Br)c2)o1
InChIInChI=1S/C11H10BrFN2O/c1-6(14)11-15-5-10(16-11)7-2-3-9(13)8(12)4-7/h2-6H,14H2,1H3
InChIKeyUXRZQYSHOXGASZ-UHFFFAOYSA-N
XLogP3.26
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
The IUPAC name of 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine (CID 107952706) is 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
The canonical SMILES for 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine is CC(N)c1ncc(-c2ccc(F)c(Br)c2)o1.
What is the InChIKey of 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
The InChIKey is UXRZQYSHOXGASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-6(14)11-15-5-10(16-11)7-2-3-9(13)8(12)4-7/h2-6H,14H2,1H3.
What are the key properties of 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine?
1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine has a molecular weight of 285.12 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-bromo-4-fluorophenyl)-1,3-oxazol-2-yl]ethanamine is sourced from PubChem (CID 107952706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).