2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

C10H10IN3O — CID 61334113

IUPAC2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2ccccc2I)n1
InChIInChI=1S/C10H10IN3O/c11-8-4-2-1-3-7(8)10-13-9(5-6-12)14-15-10/h1-4H,5-6,12H2
InChIKeyRJQUOVSTXPVNKT-UHFFFAOYSA-N
MW315.11 g/mol
LogP1.84
Rot. Bonds3

About 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine

2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 61334113) has the molecular formula C10H10IN3O and a molecular weight of 315.11 g/mol. Its IUPAC name is 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID61334113
Molecular FormulaC10H10IN3O
Molecular Weight315.11 g/mol
Exact Mass314.99
IUPAC Name2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESNCCc1noc(-c2ccccc2I)n1
InChIInChI=1S/C10H10IN3O/c11-8-4-2-1-3-7(8)10-13-9(5-6-12)14-15-10/h1-4H,5-6,12H2
InChIKeyRJQUOVSTXPVNKT-UHFFFAOYSA-N
XLogP1.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.11
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 61334113) is 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is NCCc1noc(-c2ccccc2I)n1.
What is the InChIKey of 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is RJQUOVSTXPVNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10IN3O/c11-8-4-2-1-3-7(8)10-13-9(5-6-12)14-15-10/h1-4H,5-6,12H2.
What are the key properties of 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine?
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 315.11 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 61334113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).