5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine

C9H5BrF2N2O — CID 117439355

IUPAC5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(F)c(F)c(Br)c2)on1
InChIInChI=1S/C9H5BrF2N2O/c10-5-1-4(2-6(11)9(5)12)7-3-8(13)14-15-7/h1-3H,(H2,13,14)
InChIKeyCWKJKJSLPJBZNA-UHFFFAOYSA-N
MW275.05 g/mol
LogP2.96
Rot. Bonds1

About 5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine

5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine (PubChem CID 117439355) has the molecular formula C9H5BrF2N2O and a molecular weight of 275.05 g/mol. Its IUPAC name is 5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine
PubChem CID117439355
Molecular FormulaC9H5BrF2N2O
Molecular Weight275.05 g/mol
Exact Mass273.96
IUPAC Name5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(F)c(F)c(Br)c2)on1
InChIInChI=1S/C9H5BrF2N2O/c10-5-1-4(2-6(11)9(5)12)7-3-8(13)14-15-7/h1-3H,(H2,13,14)
InChIKeyCWKJKJSLPJBZNA-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_2', 'substructure': 'N/A'}

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Related Compounds

3-(3-amino-1,2-oxazol-5-yl)-5-bromo-4-fluorobenzene-1,2-diol
CID 136968361
2-(3-amino-1,2-oxazol-5-yl)-4-bromo-3-fluorophenol
CID 136932435
5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 117471036
5-(3,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66199808
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine
CID 117367117
5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine
CID 117430199
methyl 5-(3-amino-1,2-oxazol-5-yl)-3-fluoro-2-hydroxybenzoate
CID 136942213
5-(3-bromo-4-pentan-3-ylphenyl)-1,2-oxazol-3-amine
CID 117493981
4-(3-bromo-4,5-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464596
3-(3-bromo-4,5-difluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 117488801

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine (CID 117439355) is 5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine is Nc1cc(-c2cc(F)c(F)c(Br)c2)on1.
What is the InChIKey of 5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is CWKJKJSLPJBZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2O/c10-5-1-4(2-6(11)9(5)12)7-3-8(13)14-15-7/h1-3H,(H2,13,14).
What are the key properties of 5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine?
5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-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 5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117439355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).