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

C10H8BrFN2O2 — CID 117462604

IUPAC5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(Br)cc(-c2cc(N)no2)c1F
InChIInChI=1S/C10H8BrFN2O2/c1-15-8-3-5(11)2-6(10(8)12)7-4-9(13)14-16-7/h2-4H,1H3,(H2,13,14)
InChIKeyQRCDCFYBSSQHRS-UHFFFAOYSA-N
MW287.09 g/mol
LogP2.83
Rot. Bonds2

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

5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117462604) has the molecular formula C10H8BrFN2O2 and a molecular weight of 287.09 g/mol. Its IUPAC name is 5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID117462604
Molecular FormulaC10H8BrFN2O2
Molecular Weight287.09 g/mol
Exact Mass285.98
IUPAC Name5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(Br)cc(-c2cc(N)no2)c1F
InChIInChI=1S/C10H8BrFN2O2/c1-15-8-3-5(11)2-6(10(8)12)7-4-9(13)14-16-7/h2-4H,1H3,(H2,13,14)
InChIKeyQRCDCFYBSSQHRS-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

5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
3-(3-amino-1,2-oxazol-5-yl)-2-fluoro-6-methoxyphenol
CID 117321250
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358478
5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461607
5-(7-methoxy-1-benzofuran-4-yl)-1,2-oxazol-3-amine
CID 117332191

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine (CID 117462604) is 5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine is COc1cc(Br)cc(-c2cc(N)no2)c1F.
What is the InChIKey of 5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is QRCDCFYBSSQHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O2/c1-15-8-3-5(11)2-6(10(8)12)7-4-9(13)14-16-7/h2-4H,1H3,(H2,13,14).
What are the key properties of 5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine?
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-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 5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117462604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).