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

C9H6BrIN2O — CID 79556783

IUPAC5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)cc2)c1I
InChIInChI=1S/C9H6BrIN2O/c10-6-3-1-5(2-4-6)8-7(11)9(12)13-14-8/h1-4H,(H2,12,13)
InChIKeyLDSZZPFSEBUTBH-UHFFFAOYSA-N
MW364.97 g/mol
LogP3.29
Rot. Bonds1

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

5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine (PubChem CID 79556783) has the molecular formula C9H6BrIN2O and a molecular weight of 364.97 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine
PubChem CID79556783
Molecular FormulaC9H6BrIN2O
Molecular Weight364.97 g/mol
Exact Mass363.87
IUPAC Name5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine
SMILESNc1noc(-c2ccc(Br)cc2)c1I
InChIInChI=1S/C9H6BrIN2O/c10-6-3-1-5(2-4-6)8-7(11)9(12)13-14-8/h1-4H,(H2,12,13)
InChIKeyLDSZZPFSEBUTBH-UHFFFAOYSA-N
XLogP3.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.97
LogP ≤ 53.29
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 5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine?
The IUPAC name of 5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine (CID 79556783) is 5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine?
The canonical SMILES for 5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine is Nc1noc(-c2ccc(Br)cc2)c1I.
What is the InChIKey of 5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine?
The InChIKey is LDSZZPFSEBUTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrIN2O/c10-6-3-1-5(2-4-6)8-7(11)9(12)13-14-8/h1-4H,(H2,12,13).
What are the key properties of 5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine?
5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine has a molecular weight of 364.97 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4-iodo-1,2-oxazol-3-amine is sourced from PubChem (CID 79556783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).