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

C9H6BrFN2O — CID 43248459

IUPAC3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc(F)cc(Br)c2)no1
InChIInChI=1S/C9H6BrFN2O/c10-6-1-5(2-7(11)3-6)8-4-9(12)14-13-8/h1-4H,12H2
InChIKeyMMCMUNRSWHDJNC-UHFFFAOYSA-N
MW257.06 g/mol
LogP2.83
Rot. Bonds1

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

3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine (PubChem CID 43248459) has the molecular formula C9H6BrFN2O and a molecular weight of 257.06 g/mol. Its IUPAC name is 3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
PubChem CID43248459
Molecular FormulaC9H6BrFN2O
Molecular Weight257.06 g/mol
Exact Mass255.96
IUPAC Name3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine
SMILESNc1cc(-c2cc(F)cc(Br)c2)no1
InChIInChI=1S/C9H6BrFN2O/c10-6-1-5(2-7(11)3-6)8-4-9(12)14-13-8/h1-4H,12H2
InChIKeyMMCMUNRSWHDJNC-UHFFFAOYSA-N
XLogP2.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.06
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine (CID 43248459) is 3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine is Nc1cc(-c2cc(F)cc(Br)c2)no1.
What is the InChIKey of 3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is MMCMUNRSWHDJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrFN2O/c10-6-1-5(2-7(11)3-6)8-4-9(12)14-13-8/h1-4H,12H2.
What are the key properties of 3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine?
3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 257.06 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-5-fluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43248459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).