4-(iodomethyl)-2-phenyl-1,3-oxazole

C10H8INO — CID 15726804

IUPAC4-(iodomethyl)-2-phenyl-1,3-oxazole
SMILESICc1coc(-c2ccccc2)n1
InChIInChI=1S/C10H8INO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyAUXXYEOGNXWTJT-UHFFFAOYSA-N
MW285.08 g/mol
LogP3.28
Rot. Bonds2

About 4-(iodomethyl)-2-phenyl-1,3-oxazole

4-(iodomethyl)-2-phenyl-1,3-oxazole (PubChem CID 15726804) has the molecular formula C10H8INO and a molecular weight of 285.08 g/mol. Its IUPAC name is 4-(iodomethyl)-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name4-(iodomethyl)-2-phenyl-1,3-oxazole
PubChem CID15726804
Molecular FormulaC10H8INO
Molecular Weight285.08 g/mol
Exact Mass284.97
IUPAC Name4-(iodomethyl)-2-phenyl-1,3-oxazole
SMILESICc1coc(-c2ccccc2)n1
InChIInChI=1S/C10H8INO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyAUXXYEOGNXWTJT-UHFFFAOYSA-N
XLogP3.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 53.28
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

4-(bromomethyl)-2-phenyl-1,3-oxazole
CID 53421463
2-phenyl-4-propyl-1,3-oxazole
CID 23537835
4-(iodomethyl)-2-(3-methoxyphenyl)-1,3-oxazole
CID 57434521
4-[(2-iodophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 38879165
4-[(2-ethoxyphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767319
4-[(2-fluorophenoxy)methyl]-2-phenyl-1,3-oxazole
CID 78767820
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
3-methyl-1-(2-phenyl-1,3-oxazol-4-yl)butan-2-one
CID 164836493
2-phenyl-4-[(4-propoxyphenoxy)methyl]-1,3-oxazole
CID 112787746
4-[(3,4-dimethylphenoxy)methyl]-2-phenyl-1,3-oxazole
CID 112787327
4-hept-6-ynyl-2-phenyl-1,3-oxazole
CID 142811788
4-fluoro-2-phenyl-1,3-oxazole
CID 141447377

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)-2-phenyl-1,3-oxazole?
The IUPAC name of 4-(iodomethyl)-2-phenyl-1,3-oxazole (CID 15726804) is 4-(iodomethyl)-2-phenyl-1,3-oxazole.
What is the SMILES notation for 4-(iodomethyl)-2-phenyl-1,3-oxazole?
The canonical SMILES for 4-(iodomethyl)-2-phenyl-1,3-oxazole is ICc1coc(-c2ccccc2)n1.
What is the InChIKey of 4-(iodomethyl)-2-phenyl-1,3-oxazole?
The InChIKey is AUXXYEOGNXWTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO/c11-6-9-7-13-10(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 4-(iodomethyl)-2-phenyl-1,3-oxazole?
4-(iodomethyl)-2-phenyl-1,3-oxazole has a molecular weight of 285.08 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)-2-phenyl-1,3-oxazole is sourced from PubChem (CID 15726804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).