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

C15H10BrIN2O — CID 66200724

IUPAC4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(I)c2)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrIN2O/c16-11-6-4-9(5-7-11)13-14(20-19-15(13)18)10-2-1-3-12(17)8-10/h1-8H,(H2,18,19)
InChIKeyAKBYYCSFPQAIFL-UHFFFAOYSA-N
MW441.07 g/mol
LogP4.96
Rot. Bonds2

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

4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine (PubChem CID 66200724) has the molecular formula C15H10BrIN2O and a molecular weight of 441.07 g/mol. Its IUPAC name is 4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine
PubChem CID66200724
Molecular FormulaC15H10BrIN2O
Molecular Weight441.07 g/mol
Exact Mass439.90
IUPAC Name4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine
SMILESNc1noc(-c2cccc(I)c2)c1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrIN2O/c16-11-6-4-9(5-7-11)13-14(20-19-15(13)18)10-2-1-3-12(17)8-10/h1-8H,(H2,18,19)
InChIKeyAKBYYCSFPQAIFL-UHFFFAOYSA-N
XLogP4.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.07
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine (CID 66200724) is 4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine is Nc1noc(-c2cccc(I)c2)c1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine?
The InChIKey is AKBYYCSFPQAIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrIN2O/c16-11-6-4-9(5-7-11)13-14(20-19-15(13)18)10-2-1-3-12(17)8-10/h1-8H,(H2,18,19).
What are the key properties of 4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine?
4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine has a molecular weight of 441.07 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-5-(3-iodophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).