3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine

C11H10BrFN2O — CID 117458753

IUPAC3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Br)c(F)c(-c2cc(N)on2)c1C
InChIInChI=1S/C11H10BrFN2O/c1-5-3-7(12)11(13)10(6(5)2)8-4-9(14)16-15-8/h3-4H,14H2,1-2H3
InChIKeyJYQISJMMVOJAJG-UHFFFAOYSA-N
MW285.12 g/mol
LogP3.44
Rot. Bonds1

About 3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine

3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine (PubChem CID 117458753) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
PubChem CID117458753
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Br)c(F)c(-c2cc(N)on2)c1C
InChIInChI=1S/C11H10BrFN2O/c1-5-3-7(12)11(13)10(6(5)2)8-4-9(14)16-15-8/h3-4H,14H2,1-2H3
InChIKeyJYQISJMMVOJAJG-UHFFFAOYSA-N
XLogP3.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117439369
2-(5-amino-1,2-oxazol-3-yl)-5-bromo-3,6-dimethylphenol
CID 136931070
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008
4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458759
4-(5-amino-1,2-oxazol-3-yl)-2-bromo-3,5-dimethylphenol
CID 136931065
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112406
3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 115112351
3-(2-fluoro-3,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 117294555
2-(5-amino-1,2-oxazol-3-yl)-4-bromo-6-methoxy-3-methylphenol
CID 136966354
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317570
3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117321351
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-4-fluoro-3-methylphenol
CID 136952346

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine (CID 117458753) is 3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine is Cc1cc(Br)c(F)c(-c2cc(N)on2)c1C.
What is the InChIKey of 3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is JYQISJMMVOJAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-5-3-7(12)11(13)10(6(5)2)8-4-9(14)16-15-8/h3-4H,14H2,1-2H3.
What are the key properties of 3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine?
3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine has a molecular weight of 285.12 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117458753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).