4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine

C11H10BrFN2O — CID 117458759

IUPAC4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Br)c(F)c(-c2cnoc2N)c1C
InChIInChI=1S/C11H10BrFN2O/c1-5-3-8(12)10(13)9(6(5)2)7-4-15-16-11(7)14/h3-4H,14H2,1-2H3
InChIKeyBCYXGIANTIPSGJ-UHFFFAOYSA-N
MW285.12 g/mol
LogP3.44
Rot. Bonds1

About 4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine

4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine (PubChem CID 117458759) has the molecular formula C11H10BrFN2O and a molecular weight of 285.12 g/mol. Its IUPAC name is 4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
PubChem CID117458759
Molecular FormulaC11H10BrFN2O
Molecular Weight285.12 g/mol
Exact Mass284.00
IUPAC Name4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(Br)c(F)c(-c2cnoc2N)c1C
InChIInChI=1S/C11H10BrFN2O/c1-5-3-8(12)10(13)9(6(5)2)7-4-15-16-11(7)14/h3-4H,14H2,1-2H3
InChIKeyBCYXGIANTIPSGJ-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

4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932
3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458753
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490148
4-(2,3,4,5-tetramethylphenyl)-1,2-oxazol-5-amine
CID 117308300
4-(6,7-dimethyl-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117367649
4-(2-bromo-4,5-difluorophenyl)-1,2-oxazol-5-amine
CID 117439375
4-(3,4-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299829
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
4-(5-bromo-2,3-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117490147
4-(2,3-difluoro-5-methylphenyl)-1,2-oxazol-5-amine
CID 117299828
4-(5-bromo-2-methylphenyl)-1,2-oxazol-5-amine
CID 83548488

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine (CID 117458759) is 4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine is Cc1cc(Br)c(F)c(-c2cnoc2N)c1C.
What is the InChIKey of 4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is BCYXGIANTIPSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrFN2O/c1-5-3-8(12)10(13)9(6(5)2)7-4-15-16-11(7)14/h3-4H,14H2,1-2H3.
What are the key properties of 4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine?
4-(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 4-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117458759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).