3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine

C15H10Br2N2O — CID 107955260

IUPAC3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)cc2Br)c1-c1ccccc1
InChIInChI=1S/C15H10Br2N2O/c16-10-6-7-11(12(17)8-10)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyNUIBWAHUSUZKGK-UHFFFAOYSA-N
MW394.07 g/mol
LogP5.12
Rot. Bonds2

About 3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine

3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine (PubChem CID 107955260) has the molecular formula C15H10Br2N2O and a molecular weight of 394.07 g/mol. Its IUPAC name is 3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
PubChem CID107955260
Molecular FormulaC15H10Br2N2O
Molecular Weight394.07 g/mol
Exact Mass391.92
IUPAC Name3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccc(Br)cc2Br)c1-c1ccccc1
InChIInChI=1S/C15H10Br2N2O/c16-10-6-7-11(12(17)8-10)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2
InChIKeyNUIBWAHUSUZKGK-UHFFFAOYSA-N
XLogP5.12
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.07
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107955338
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
3-(2,5-dibromophenyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 114373473
3,4-bis(2-bromophenyl)-1,2-oxazol-5-amine
CID 62830001
4-(3-bromophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 43560892
4-(3-bromophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43560913
3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 81294873
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
3-(4-chloro-2-fluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335730
3-(2-bromo-4-chlorophenyl)-4-(2-bromophenyl)-1,2-oxazol-5-amine
CID 107988970
3-(2-bromo-4-chlorophenyl)-4-(3-fluorophenyl)-1,2-oxazol-5-amine
CID 107988941
3-(4-bromo-2-fluorophenyl)-4-pyridin-3-yl-1,2-oxazol-5-amine
CID 80522997

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine (CID 107955260) is 3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine is Nc1onc(-c2ccc(Br)cc2Br)c1-c1ccccc1.
What is the InChIKey of 3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine?
The InChIKey is NUIBWAHUSUZKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N2O/c16-10-6-7-11(12(17)8-10)14-13(15(18)20-19-14)9-4-2-1-3-5-9/h1-8H,18H2.
What are the key properties of 3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine?
3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine has a molecular weight of 394.07 g/mol, XLogP of 5.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dibromophenyl)-4-phenyl-1,2-oxazol-5-amine is sourced from PubChem (CID 107955260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).