3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine

C10H8BrFN2O2 — CID 117462618

IUPAC3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(F)c(-c2cc(N)on2)cc1Br
InChIInChI=1S/C10H8BrFN2O2/c1-15-9-3-7(12)5(2-6(9)11)8-4-10(13)16-14-8/h2-4H,13H2,1H3
InChIKeyYVYPLFHDLHZSAV-UHFFFAOYSA-N
MW287.09 g/mol
LogP2.83
Rot. Bonds2

About 3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine

3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 117462618) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is 3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID117462618
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(F)c(-c2cc(N)on2)cc1Br
InChIInChI=1S/C10H8BrFN2O2/c1-15-9-3-7(12)5(2-6(9)11)8-4-10(13)16-14-8/h2-4H,13H2,1H3
InChIKeyYVYPLFHDLHZSAV-UHFFFAOYSA-N
XLogP2.83
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.09
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
4-(5-amino-1,2-oxazol-3-yl)-5-bromo-2-methoxyphenol
CID 136931171
3-(2-bromo-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454853
3-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 117471047
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358441
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117461612
3-(2-bromo-4,6-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117481559
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine (CID 117462618) is 3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine is COc1cc(F)c(-c2cc(N)on2)cc1Br.
What is the InChIKey of 3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is YVYPLFHDLHZSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c1-15-9-3-7(12)5(2-6(9)11)8-4-10(13)16-14-8/h2-4H,13H2,1H3.
What are the key properties of 3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine?
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 287.09 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117462618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).