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

C15H9Br2FN2O — CID 107955344

IUPAC3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccc(Br)c2F)c1-c1ccccc1Br
InChIInChI=1S/C15H9Br2FN2O/c16-10-6-2-1-4-8(10)12-14(20-21-15(12)19)9-5-3-7-11(17)13(9)18/h1-7H,19H2
InChIKeyVLGLFPUFKYWLPL-UHFFFAOYSA-N
MW412.06 g/mol
LogP5.25
Rot. Bonds2

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

3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine (PubChem CID 107955344) has the molecular formula C15H9Br2FN2O and a molecular weight of 412.06 g/mol. Its IUPAC name is 3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
PubChem CID107955344
Molecular FormulaC15H9Br2FN2O
Molecular Weight412.06 g/mol
Exact Mass409.91
IUPAC Name3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2cccc(Br)c2F)c1-c1ccccc1Br
InChIInChI=1S/C15H9Br2FN2O/c16-10-6-2-1-4-8(10)12-14(20-21-15(12)19)9-5-3-7-11(17)13(9)18/h1-7H,19H2
InChIKeyVLGLFPUFKYWLPL-UHFFFAOYSA-N
XLogP5.25
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.06
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
4-(2-bromophenyl)-3-(4-fluorophenyl)-1,2-oxazol-5-amine
CID 62830346
4-(2-bromophenyl)-3-(2-chloro-6-fluorophenyl)-1,2-oxazol-5-amine
CID 62828603
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
4-(2-bromophenyl)-3-(5-fluoro-2-pyridinyl)-1,2-oxazol-5-amine
CID 104639034
3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107988970
4-(2-bromophenyl)-3-(3-methylthiophen-2-yl)-1,2-oxazol-5-amine
CID 62829472
3-(3-bromo-4-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 81460037
4-(2-bromophenyl)-3-(4-ethylphenyl)-1,2-oxazol-5-amine
CID 62829297
3-(3-bromo-5-methylphenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 104853236
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(2-bromophenyl)-3-(3-chloro-5-methylphenyl)-1,2-oxazol-5-amine
CID 81317351

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine (CID 107955344) is 3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2cccc(Br)c2F)c1-c1ccccc1Br.
What is the InChIKey of 3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
The InChIKey is VLGLFPUFKYWLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2FN2O/c16-10-6-2-1-4-8(10)12-14(20-21-15(12)19)9-5-3-7-11(17)13(9)18/h1-7H,19H2.
What are the key properties of 3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine?
3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine has a molecular weight of 412.06 g/mol, XLogP of 5.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-fluorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 107955344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).