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

C9H5BrF2N2O — CID 79556113

IUPAC4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)c(F)c2)c1Br
InChIInChI=1S/C9H5BrF2N2O/c10-7-8(15-14-9(7)13)4-1-2-5(11)6(12)3-4/h1-3H,(H2,13,14)
InChIKeyUKDBIIVGDBXHIM-UHFFFAOYSA-N
MW275.05 g/mol
LogP2.96
Rot. Bonds1

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

4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine (PubChem CID 79556113) has the molecular formula C9H5BrF2N2O and a molecular weight of 275.05 g/mol. Its IUPAC name is 4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine
PubChem CID79556113
Molecular FormulaC9H5BrF2N2O
Molecular Weight275.05 g/mol
Exact Mass273.96
IUPAC Name4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(F)c(F)c2)c1Br
InChIInChI=1S/C9H5BrF2N2O/c10-7-8(15-14-9(7)13)4-1-2-5(11)6(12)3-4/h1-3H,(H2,13,14)
InChIKeyUKDBIIVGDBXHIM-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 79556620
4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine
CID 113292820
5-(3,4-difluorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-3-amine
CID 66198579
4-(4-bromophenyl)-5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
CID 82878283
4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 79557110
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 79555953
4-bromo-5-(3,4-diethoxyphenyl)-1,2-oxazol-3-amine
CID 79556122
4-bromo-5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 79555310
5-bromo-2-(3,4-difluorophenyl)-6-methylpyrimidin-4-amine
CID 66304664
5-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 63259948
4-bromo-5-(4-nitrophenyl)-1,2-oxazol-3-amine
CID 79555607
4-bromo-5-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-3-amine
CID 79555618

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine (CID 79556113) is 4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2ccc(F)c(F)c2)c1Br.
What is the InChIKey of 4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is UKDBIIVGDBXHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2O/c10-7-8(15-14-9(7)13)4-1-2-5(11)6(12)3-4/h1-3H,(H2,13,14).
What are the key properties of 4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine?
4-bromo-5-(3,4-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 4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79556113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).