5-iodo-4,5-dihydro-1,3-oxazole

C3H4INO — CID 67700552

IUPAC5-iodo-4,5-dihydro-1,3-oxazole
SMILESIC1CN=CO1
InChIInChI=1S/C3H4INO/c4-3-1-5-2-6-3/h2-3H,1H2
InChIKeyFAZRFJVMIOQCIG-UHFFFAOYSA-N
MW196.97 g/mol
LogP0.81
Rot. Bonds

About 5-iodo-4,5-dihydro-1,3-oxazole

5-iodo-4,5-dihydro-1,3-oxazole (PubChem CID 67700552) has the molecular formula C3H4INO and a molecular weight of 196.97 g/mol. Its IUPAC name is 5-iodo-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name5-iodo-4,5-dihydro-1,3-oxazole
PubChem CID67700552
Molecular FormulaC3H4INO
Molecular Weight196.97 g/mol
Exact Mass196.93
IUPAC Name5-iodo-4,5-dihydro-1,3-oxazole
SMILESIC1CN=CO1
InChIInChI=1S/C3H4INO/c4-3-1-5-2-6-3/h2-3H,1H2
InChIKeyFAZRFJVMIOQCIG-UHFFFAOYSA-N
XLogP0.81
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.97
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-4,5-dihydro-1,3-oxazole?
The IUPAC name of 5-iodo-4,5-dihydro-1,3-oxazole (CID 67700552) is 5-iodo-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 5-iodo-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 5-iodo-4,5-dihydro-1,3-oxazole is IC1CN=CO1.
What is the InChIKey of 5-iodo-4,5-dihydro-1,3-oxazole?
The InChIKey is FAZRFJVMIOQCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4INO/c4-3-1-5-2-6-3/h2-3H,1H2.
What are the key properties of 5-iodo-4,5-dihydro-1,3-oxazole?
5-iodo-4,5-dihydro-1,3-oxazole has a molecular weight of 196.97 g/mol, XLogP of 0.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 67700552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).