2-(1,1-diiodoethyl)-1,3-oxazole

C5H5I2NO — CID 142182148

IUPAC2-(1,1-diiodoethyl)-1,3-oxazole
SMILESCC(I)(I)c1ncco1
InChIInChI=1S/C5H5I2NO/c1-5(6,7)4-8-2-3-9-4/h2-3H,1H3
InChIKeyHAIKSRFCLHTTGN-UHFFFAOYSA-N
MW348.91 g/mol
LogP2.72
Rot. Bonds1

About 2-(1,1-diiodoethyl)-1,3-oxazole

2-(1,1-diiodoethyl)-1,3-oxazole (PubChem CID 142182148) has the molecular formula C5H5I2NO and a molecular weight of 348.91 g/mol. Its IUPAC name is 2-(1,1-diiodoethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(1,1-diiodoethyl)-1,3-oxazole
PubChem CID142182148
Molecular FormulaC5H5I2NO
Molecular Weight348.91 g/mol
Exact Mass348.85
IUPAC Name2-(1,1-diiodoethyl)-1,3-oxazole
SMILESCC(I)(I)c1ncco1
InChIInChI=1S/C5H5I2NO/c1-5(6,7)4-8-2-3-9-4/h2-3H,1H3
InChIKeyHAIKSRFCLHTTGN-UHFFFAOYSA-N
XLogP2.72
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.91
LogP ≤ 52.72
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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Related Compounds

2-(5-methylundecan-5-yl)-1,3-oxazole
CID 146378601
tert-butyl-dimethyl-(1,3-oxazol-2-yloxy)silane
CID 158223424
2,2-dimethyl-1-(1,3-oxazol-2-yl)propan-1-amine
CID 82416552
2-[(1R)-1-iodoethyl]-1,3-oxazole
CID 149131745
2-methyliodanuidyl-1,3-oxazole
CID 147833148
2-(dideuteriomethyl)-1,3-oxazole
CID 167525558
trimethyl(1,3-oxazol-2-yl)-λ4-sulfane
CID 90872919
4,4,4-trifluoro-3-hydroxy-3-(1,3-oxazol-2-yl)butanoic acid
CID 138008209
2-[(2S)-butan-2-yl]-1,3-oxazole
CID 89019255
decane;2-methyl-1,3-oxazole
CID 143643787
2,2-dimethyl-N-(1,3-oxazol-2-yl)propanamide
CID 146397986
2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole
CID 90278010

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-diiodoethyl)-1,3-oxazole?
The IUPAC name of 2-(1,1-diiodoethyl)-1,3-oxazole (CID 142182148) is 2-(1,1-diiodoethyl)-1,3-oxazole.
What is the SMILES notation for 2-(1,1-diiodoethyl)-1,3-oxazole?
The canonical SMILES for 2-(1,1-diiodoethyl)-1,3-oxazole is CC(I)(I)c1ncco1.
What is the InChIKey of 2-(1,1-diiodoethyl)-1,3-oxazole?
The InChIKey is HAIKSRFCLHTTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5I2NO/c1-5(6,7)4-8-2-3-9-4/h2-3H,1H3.
What are the key properties of 2-(1,1-diiodoethyl)-1,3-oxazole?
2-(1,1-diiodoethyl)-1,3-oxazole has a molecular weight of 348.91 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-diiodoethyl)-1,3-oxazole is sourced from PubChem (CID 142182148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).