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

C15H9Br2FN2O — CID 66198124

IUPAC5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)ccc2Br)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H9Br2FN2O/c16-9-3-1-8(2-4-9)13-14(21-20-15(13)19)11-7-10(18)5-6-12(11)17/h1-7H,(H2,19,20)
InChIKeyJNMXMURSXYVGRK-UHFFFAOYSA-N
MW412.06 g/mol
LogP5.25
Rot. Bonds2

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

5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine (PubChem CID 66198124) has the molecular formula C15H9Br2FN2O and a molecular weight of 412.06 g/mol. Its IUPAC name is 5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
PubChem CID66198124
Molecular FormulaC15H9Br2FN2O
Molecular Weight412.06 g/mol
Exact Mass409.91
IUPAC Name5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cc(F)ccc2Br)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H9Br2FN2O/c16-9-3-1-8(2-4-9)13-14(21-20-15(13)19)11-7-10(18)5-6-12(11)17/h1-7H,(H2,19,20)
InChIKeyJNMXMURSXYVGRK-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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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine (CID 66198124) is 5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cc(F)ccc2Br)c1-c1ccc(Br)cc1.
What is the InChIKey of 5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine?
The InChIKey is JNMXMURSXYVGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Br2FN2O/c16-9-3-1-8(2-4-9)13-14(21-20-15(13)19)11-7-10(18)5-6-12(11)17/h1-7H,(H2,19,20).
What are the key properties of 5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine?
5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-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 5-(2-bromo-5-fluorophenyl)-4-(4-bromophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66198124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).