3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine

C9H3BrClF3N2O — CID 115112406

IUPAC3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)c(F)c(Cl)c(F)c2Br)no1
InChIInChI=1S/C9H3BrClF3N2O/c10-5-4(2-1-3(15)17-16-2)7(12)9(14)6(11)8(5)13/h1H,15H2
InChIKeyCPXQSBUXVYCUNU-UHFFFAOYSA-N
MW327.49 g/mol
LogP3.76
Rot. Bonds1

About 3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine

3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine (PubChem CID 115112406) has the molecular formula C9H3BrClF3N2O and a molecular weight of 327.49 g/mol. Its IUPAC name is 3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine
PubChem CID115112406
Molecular FormulaC9H3BrClF3N2O
Molecular Weight327.49 g/mol
Exact Mass325.91
IUPAC Name3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2c(F)c(F)c(Cl)c(F)c2Br)no1
InChIInChI=1S/C9H3BrClF3N2O/c10-5-4(2-1-3(15)17-16-2)7(12)9(14)6(11)8(5)13/h1H,15H2
InChIKeyCPXQSBUXVYCUNU-UHFFFAOYSA-N
XLogP3.76
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,3,4,5,6-pentafluorophenyl)-1,2-oxazol-5-amine
CID 43608008
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazole-5-carboxylic acid
CID 115112665
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1-methylpyrazol-5-amine
CID 115112019
4-(5-amino-1,2-oxazol-3-yl)-2-chloro-3,5-difluorophenol
CID 137011591
3-(3-bromo-2,6-difluorophenyl)-1,2-oxazol-5-amine
CID 117439369
3-(3-bromo-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117458753
2-(5-amino-1,2-oxazol-3-yl)-6-chloro-3,4-difluorophenol
CID 137011592
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazol-5-amine
CID 117325881
3-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 117471047
3-(7-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-5-amine
CID 117429491
3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
CID 43248459
3-(4-chloro-3-fluoro-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117358441

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine (CID 115112406) is 3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2c(F)c(F)c(Cl)c(F)c2Br)no1.
What is the InChIKey of 3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is CPXQSBUXVYCUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrClF3N2O/c10-5-4(2-1-3(15)17-16-2)7(12)9(14)6(11)8(5)13/h1H,15H2.
What are the key properties of 3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine?
3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 327.49 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-chloro-3,5,6-trifluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 115112406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).