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

C11H12IN3O — CID 61326285

IUPAC2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(-c2ccc(I)cc2)n1
InChIInChI=1S/C11H12IN3O/c1-11(2,13)10-14-9(16-15-10)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3
InChIKeyFIYYBNJUXXAMCC-UHFFFAOYSA-N
MW329.14 g/mol
LogP2.54
Rot. Bonds2

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

2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 61326285) has the molecular formula C11H12IN3O and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID61326285
Molecular FormulaC11H12IN3O
Molecular Weight329.14 g/mol
Exact Mass329.00
IUPAC Name2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(C)(N)c1noc(-c2ccc(I)cc2)n1
InChIInChI=1S/C11H12IN3O/c1-11(2,13)10-14-9(16-15-10)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3
InChIKeyFIYYBNJUXXAMCC-UHFFFAOYSA-N
XLogP2.54
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 52.54
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-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 61326285) is 2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(C)(N)c1noc(-c2ccc(I)cc2)n1.
What is the InChIKey of 2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is FIYYBNJUXXAMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN3O/c1-11(2,13)10-14-9(16-15-10)7-3-5-8(12)6-4-7/h3-6H,13H2,1-2H3.
What are the key properties of 2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 329.14 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-iodophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 61326285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).