4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole

C10H6F2INO — CID 102974718

IUPAC4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole
SMILESCc1cc(F)c(-c2coc(I)n2)cc1F
InChIInChI=1S/C10H6F2INO/c1-5-2-8(12)6(3-7(5)11)9-4-15-10(13)14-9/h2-4H,1H3
InChIKeyUQMXBYFOGFJLEY-UHFFFAOYSA-N
MW321.06 g/mol
LogP3.53
Rot. Bonds1

About 4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole

4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole (PubChem CID 102974718) has the molecular formula C10H6F2INO and a molecular weight of 321.06 g/mol. Its IUPAC name is 4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole.

Molecular Properties

Compound Name4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole
PubChem CID102974718
Molecular FormulaC10H6F2INO
Molecular Weight321.06 g/mol
Exact Mass320.95
IUPAC Name4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole
SMILESCc1cc(F)c(-c2coc(I)n2)cc1F
InChIInChI=1S/C10H6F2INO/c1-5-2-8(12)6(3-7(5)11)9-4-15-10(13)14-9/h2-4H,1H3
InChIKeyUQMXBYFOGFJLEY-UHFFFAOYSA-N
XLogP3.53
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.06
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(5-bromo-2-fluorophenyl)-2-iodo-1,3-oxazole
CID 102974675
2-(2,5-difluoro-4-methylphenyl)pyridine
CID 170974832
4-[3,5-bis(trifluoromethyl)phenyl]-2-iodo-1,3-oxazole
CID 102974686
4-(2,5-difluoro-4-methylphenyl)-2-piperidin-4-yl-1,3-thiazole;hydrochloride
CID 120558206
1,4-difluoro-2-methyl-5-(4-methylphenyl)benzene
CID 23542780
6-(2,5-difluoro-4-methylphenyl)-2-ethylpyridine-3-carboxylic acid
CID 116533091
[2-(2,5-difluoro-4-methylphenyl)imidazo[1,2-a]pyridin-6-yl]methanamine
CID 81462814
2-chloro-4-(2-chloro-5-fluoro-4-methylphenyl)-1,3-thiazole
CID 116968150
2-(difluoromethyl)-5-fluoro-6-iodo-3-methylpyridine
CID 130079892
3-(2,5-difluoro-4-methylphenyl)pyridine
CID 143759776
5-(2,5-difluoro-4-methylphenyl)-3-methylpyridin-2-amine
CID 83170014
3-(2-chloro-5-fluoro-4-methylphenyl)-5-methyl-1H-pyrazole
CID 116856670

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole?
The IUPAC name of 4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole (CID 102974718) is 4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole.
What is the SMILES notation for 4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole?
The canonical SMILES for 4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole is Cc1cc(F)c(-c2coc(I)n2)cc1F.
What is the InChIKey of 4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole?
The InChIKey is UQMXBYFOGFJLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2INO/c1-5-2-8(12)6(3-7(5)11)9-4-15-10(13)14-9/h2-4H,1H3.
What are the key properties of 4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole?
4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole has a molecular weight of 321.06 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluoro-4-methylphenyl)-2-iodo-1,3-oxazole is sourced from PubChem (CID 102974718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).