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

C9H5BrClFN2O — CID 117471036

IUPAC5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(Br)c(F)cc2Cl)on1
InChIInChI=1S/C9H5BrClFN2O/c10-5-1-4(6(11)2-7(5)12)8-3-9(13)14-15-8/h1-3H,(H2,13,14)
InChIKeyQPPDHNSNQWXBBF-UHFFFAOYSA-N
MW291.51 g/mol
LogP3.48
Rot. Bonds1

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

5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine (PubChem CID 117471036) has the molecular formula C9H5BrClFN2O and a molecular weight of 291.51 g/mol. Its IUPAC name is 5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
PubChem CID117471036
Molecular FormulaC9H5BrClFN2O
Molecular Weight291.51 g/mol
Exact Mass289.93
IUPAC Name5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2cc(Br)c(F)cc2Cl)on1
InChIInChI=1S/C9H5BrClFN2O/c10-5-1-4(6(11)2-7(5)12)8-3-9(13)14-15-8/h1-3H,(H2,13,14)
InChIKeyQPPDHNSNQWXBBF-UHFFFAOYSA-N
XLogP3.48
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.51
LogP ≤ 53.48
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-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-5-amine
CID 117471047
5-(2-chloro-3,5-difluorophenyl)-1,2-oxazol-3-amine
CID 117333114
5-(2,5-dichlorophenyl)-1,2-oxazol-3-amine
CID 66198012
5-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazol-3-amine
CID 117430199
5-(3-bromo-4,5-difluorophenyl)-1,2-oxazol-3-amine
CID 117439355
5-(2,3,4-trifluorophenyl)-1,2-oxazol-3-amine
CID 79754981
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358478
3-(3-amino-1,2-oxazol-5-yl)-5-chloro-4-fluorobenzene-1,2-diol
CID 137011505
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
3-(3-amino-1,2-oxazol-5-yl)-5-bromo-4-fluorobenzene-1,2-diol
CID 136968361
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine (CID 117471036) is 5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine is Nc1cc(-c2cc(Br)c(F)cc2Cl)on1.
What is the InChIKey of 5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
The InChIKey is QPPDHNSNQWXBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrClFN2O/c10-5-1-4(6(11)2-7(5)12)8-3-9(13)14-15-8/h1-3H,(H2,13,14).
What are the key properties of 5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine?
5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine has a molecular weight of 291.51 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-2-chloro-4-fluorophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117471036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).