[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine

C10H9IN2O — CID 65178572

IUPAC[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(-c2ccccc2I)o1
InChIInChI=1S/C10H9IN2O/c11-8-4-2-1-3-7(8)9-6-13-10(5-12)14-9/h1-4,6H,5,12H2
InChIKeyQZPFIRXGELZYGO-UHFFFAOYSA-N
MW300.10 g/mol
LogP2.40
Rot. Bonds2

About [5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine

[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine (PubChem CID 65178572) has the molecular formula C10H9IN2O and a molecular weight of 300.10 g/mol. Its IUPAC name is [5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine
PubChem CID65178572
Molecular FormulaC10H9IN2O
Molecular Weight300.10 g/mol
Exact Mass299.98
IUPAC Name[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine
SMILESNCc1ncc(-c2ccccc2I)o1
InChIInChI=1S/C10H9IN2O/c11-8-4-2-1-3-7(8)9-6-13-10(5-12)14-9/h1-4,6H,5,12H2
InChIKeyQZPFIRXGELZYGO-UHFFFAOYSA-N
XLogP2.40
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.10
LogP ≤ 52.40
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-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine?
The IUPAC name of [5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine (CID 65178572) is [5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine.
What is the SMILES notation for [5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine?
The canonical SMILES for [5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine is NCc1ncc(-c2ccccc2I)o1.
What is the InChIKey of [5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine?
The InChIKey is QZPFIRXGELZYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O/c11-8-4-2-1-3-7(8)9-6-13-10(5-12)14-9/h1-4,6H,5,12H2.
What are the key properties of [5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine?
[5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine has a molecular weight of 300.10 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-iodophenyl)-1,3-oxazol-2-yl]methanamine is sourced from PubChem (CID 65178572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).