5-(2-iodophenyl)-1,2-oxazol-3-amine

C9H7IN2O — CID 66200615

IUPAC5-(2-iodophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccccc2I)on1
InChIInChI=1S/C9H7IN2O/c10-7-4-2-1-3-6(7)8-5-9(11)12-13-8/h1-5H,(H2,11,12)
InChIKeyKMHQHDPIBDNNKA-UHFFFAOYSA-N
MW286.07 g/mol
LogP2.53
Rot. Bonds1

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

5-(2-iodophenyl)-1,2-oxazol-3-amine (PubChem CID 66200615) has the molecular formula C9H7IN2O and a molecular weight of 286.07 g/mol. Its IUPAC name is 5-(2-iodophenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-iodophenyl)-1,2-oxazol-3-amine
PubChem CID66200615
Molecular FormulaC9H7IN2O
Molecular Weight286.07 g/mol
Exact Mass285.96
IUPAC Name5-(2-iodophenyl)-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccccc2I)on1
InChIInChI=1S/C9H7IN2O/c10-7-4-2-1-3-6(7)8-5-9(11)12-13-8/h1-5H,(H2,11,12)
InChIKeyKMHQHDPIBDNNKA-UHFFFAOYSA-N
XLogP2.53
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.07
LogP ≤ 52.53
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)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-iodophenyl)-1,2-oxazol-3-amine (CID 66200615) is 5-(2-iodophenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-iodophenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-iodophenyl)-1,2-oxazol-3-amine is Nc1cc(-c2ccccc2I)on1.
What is the InChIKey of 5-(2-iodophenyl)-1,2-oxazol-3-amine?
The InChIKey is KMHQHDPIBDNNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O/c10-7-4-2-1-3-6(7)8-5-9(11)12-13-8/h1-5H,(H2,11,12).
What are the key properties of 5-(2-iodophenyl)-1,2-oxazol-3-amine?
5-(2-iodophenyl)-1,2-oxazol-3-amine has a molecular weight of 286.07 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-iodophenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).