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

C9H5BrF2N2O — CID 117439369

IUPAC3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)ccc(Br)c2F)no1
InChIInChI=1S/C9H5BrF2N2O/c10-4-1-2-5(11)8(9(4)12)6-3-7(13)15-14-6/h1-3H,13H2
InChIKeyPAWIYSMSKPRDNA-UHFFFAOYSA-N
MW275.05 g/mol
LogP2.96
Rot. Bonds1

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

3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine (PubChem CID 117439369) has the molecular formula C9H5BrF2N2O and a molecular weight of 275.05 g/mol. Its IUPAC name is 3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
PubChem CID117439369
Molecular FormulaC9H5BrF2N2O
Molecular Weight275.05 g/mol
Exact Mass273.96
IUPAC Name3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)ccc(Br)c2F)no1
InChIInChI=1S/C9H5BrF2N2O/c10-4-1-2-5(11)8(9(4)12)6-3-7(13)15-14-6/h1-3H,13H2
InChIKeyPAWIYSMSKPRDNA-UHFFFAOYSA-N
XLogP2.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458753
3-(3-ethyl-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117321351
3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008
3-(6-fluoro-1-benzofuran-7-yl)-1,2-oxazol-5-amine
CID 117310537
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine
CID 115112406
3-(3-chloro-6-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358433
4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
CID 137011591
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluorophenol
CID 117302459
6-(3-bromo-2,6-difluorophenyl)pyrazin-2-amine
CID 106943753
3-(6-fluoro-4H-1,3-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117344219
3-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 117471047
2-(5-amino-1,2-oxazol-3-yl)-3-bromo-6-methoxyphenol
CID 136931170

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine (CID 117439369) is 3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2c(F)ccc(Br)c2F)no1.
What is the InChIKey of 3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is PAWIYSMSKPRDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2O/c10-4-1-2-5(11)8(9(4)12)6-3-7(13)15-14-6/h1-3H,13H2.
What are the key properties of 3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine?
3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 275.05 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117439369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).