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

C10H8BrFN2O — CID 117430199

IUPAC5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(F)c(Br)c(-c2cc(N)no2)c1
InChIInChI=1S/C10H8BrFN2O/c1-5-2-6(10(11)7(12)3-5)8-4-9(13)14-15-8/h2-4H,1H3,(H2,13,14)
InChIKeyJMWBZBVZJZVMCD-UHFFFAOYSA-N
MW271.09 g/mol
LogP3.13
Rot. Bonds1

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

5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine (PubChem CID 117430199) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine
PubChem CID117430199
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine
SMILESCc1cc(F)c(Br)c(-c2cc(N)no2)c1
InChIInChI=1S/C10H8BrFN2O/c1-5-2-6(10(11)7(12)3-5)8-4-9(13)14-15-8/h2-4H,1H3,(H2,13,14)
InChIKeyJMWBZBVZJZVMCD-UHFFFAOYSA-N
XLogP3.13
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 117471036
5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 117333114
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
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-(6-bromo-5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117495870
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine
CID 115111734
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117482846

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine (CID 117430199) is 5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine is Cc1cc(F)c(Br)c(-c2cc(N)no2)c1.
What is the InChIKey of 5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine?
The InChIKey is JMWBZBVZJZVMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c1-5-2-6(10(11)7(12)3-5)8-4-9(13)14-15-8/h2-4H,1H3,(H2,13,14).
What are the key properties of 5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine?
5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine has a molecular weight of 271.09 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117430199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).