5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole

C6H5FINO — CID 89134443

IUPAC5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole
SMILESFc1cnc(/C=C/CI)o1
InChIInChI=1S/C6H5FINO/c7-5-4-9-6(10-5)2-1-3-8/h1-2,4H,3H2/b2-1+
InChIKeyZNPRJGDZXLSFKO-OWOJBTEDSA-N
MW253.01 g/mol
LogP2.26
Rot. Bonds2

About 5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole

5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole (PubChem CID 89134443) has the molecular formula C6H5FINO and a molecular weight of 253.01 g/mol. Its IUPAC name is 5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole.

Molecular Properties

Compound Name5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole
PubChem CID89134443
Molecular FormulaC6H5FINO
Molecular Weight253.01 g/mol
Exact Mass252.94
IUPAC Name5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole
SMILESFc1cnc(/C=C/CI)o1
InChIInChI=1S/C6H5FINO/c7-5-4-9-6(10-5)2-1-3-8/h1-2,4H,3H2/b2-1+
InChIKeyZNPRJGDZXLSFKO-OWOJBTEDSA-N
XLogP2.26
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.01
LogP ≤ 52.26
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-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole?
The IUPAC name of 5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole (CID 89134443) is 5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole.
What is the SMILES notation for 5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole?
The canonical SMILES for 5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole is Fc1cnc(/C=C/CI)o1.
What is the InChIKey of 5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole?
The InChIKey is ZNPRJGDZXLSFKO-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H5FINO/c7-5-4-9-6(10-5)2-1-3-8/h1-2,4H,3H2/b2-1+.
What are the key properties of 5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole?
5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole has a molecular weight of 253.01 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(E)-3-iodoprop-1-enyl]-1,3-oxazole is sourced from PubChem (CID 89134443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).