4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine

C10H6BrF3N2O — CID 79557110

IUPAC4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(C(F)(F)F)c2)c1Br
InChIInChI=1S/C10H6BrF3N2O/c11-7-8(17-16-9(7)15)5-2-1-3-6(4-5)10(12,13)14/h1-4H,(H2,15,16)
InChIKeyMXZGYYJAICMDKK-UHFFFAOYSA-N
MW307.07 g/mol
LogP3.71
Rot. Bonds1

About 4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine

4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 79557110) has the molecular formula C10H6BrF3N2O and a molecular weight of 307.07 g/mol. Its IUPAC name is 4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
PubChem CID79557110
Molecular FormulaC10H6BrF3N2O
Molecular Weight307.07 g/mol
Exact Mass305.96
IUPAC Name4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(C(F)(F)F)c2)c1Br
InChIInChI=1S/C10H6BrF3N2O/c11-7-8(17-16-9(7)15)5-2-1-3-6(4-5)10(12,13)14/h1-4H,(H2,15,16)
InChIKeyMXZGYYJAICMDKK-UHFFFAOYSA-N
XLogP3.71
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.07
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-[3-(trifluoromethyl)phenyl]-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

5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
4-bromo-5-(3,4-difluorophenyl)-1,2-oxazol-3-amine
CID 79556113
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
5-(3-bromophenyl)-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 5191480
4-bromo-5-(3,5-dimethylphenyl)-1,2-oxazol-3-amine
CID 79555953
4-bromo-5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 79556620
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
4-bromo-5-(6-bromonaphthalen-2-yl)-1,2-oxazol-3-amine
CID 113292820
3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119002862
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
[5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]methanol
CID 115093775
5-[3-(trifluoromethyl)phenyl]pyridazin-4-amine
CID 117127400

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine (CID 79557110) is 4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine is Nc1noc(-c2cccc(C(F)(F)F)c2)c1Br.
What is the InChIKey of 4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is MXZGYYJAICMDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF3N2O/c11-7-8(17-16-9(7)15)5-2-1-3-6(4-5)10(12,13)14/h1-4H,(H2,15,16).
What are the key properties of 4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine?
4-bromo-5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 307.07 g/mol, XLogP of 3.71, 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-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 79557110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).