4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine

C15H9Cl2IN2O — CID 43335560

IUPAC4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2I)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2IN2O/c16-9-5-3-6-10(17)12(9)13-14(20-21-15(13)19)8-4-1-2-7-11(8)18/h1-7H,19H2
InChIKeyJHALWHAEEJXFDL-UHFFFAOYSA-N
MW431.06 g/mol
LogP5.50
Rot. Bonds2

About 4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine

4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine (PubChem CID 43335560) has the molecular formula C15H9Cl2IN2O and a molecular weight of 431.06 g/mol. Its IUPAC name is 4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
PubChem CID43335560
Molecular FormulaC15H9Cl2IN2O
Molecular Weight431.06 g/mol
Exact Mass429.91
IUPAC Name4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccccc2I)c1-c1c(Cl)cccc1Cl
InChIInChI=1S/C15H9Cl2IN2O/c16-9-5-3-6-10(17)12(9)13-14(20-21-15(13)19)8-4-1-2-7-11(8)18/h1-7H,19H2
InChIKeyJHALWHAEEJXFDL-UHFFFAOYSA-N
XLogP5.50
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.06
LogP ≤ 55.50
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-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine (CID 43335560) is 4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine is Nc1onc(-c2ccccc2I)c1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine?
The InChIKey is JHALWHAEEJXFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2IN2O/c16-9-5-3-6-10(17)12(9)13-14(20-21-15(13)19)8-4-1-2-7-11(8)18/h1-7H,19H2.
What are the key properties of 4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine?
4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine has a molecular weight of 431.06 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenyl)-3-(2-iodophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 43335560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).