2-(iodomethyl)-4,5-dimethyl-1,3-oxazole

C6H8INO — CID 64788348

IUPAC2-(iodomethyl)-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CI)oc1C
InChIInChI=1S/C6H8INO/c1-4-5(2)9-6(3-7)8-4/h3H2,1-2H3
InChIKeyFKSZCRBAYSLXEX-UHFFFAOYSA-N
MW237.04 g/mol
LogP2.23
Rot. Bonds1

About 2-(iodomethyl)-4,5-dimethyl-1,3-oxazole

2-(iodomethyl)-4,5-dimethyl-1,3-oxazole (PubChem CID 64788348) has the molecular formula C6H8INO and a molecular weight of 237.04 g/mol. Its IUPAC name is 2-(iodomethyl)-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-(iodomethyl)-4,5-dimethyl-1,3-oxazole
PubChem CID64788348
Molecular FormulaC6H8INO
Molecular Weight237.04 g/mol
Exact Mass236.97
IUPAC Name2-(iodomethyl)-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CI)oc1C
InChIInChI=1S/C6H8INO/c1-4-5(2)9-6(3-7)8-4/h3H2,1-2H3
InChIKeyFKSZCRBAYSLXEX-UHFFFAOYSA-N
XLogP2.23
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 52.23
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 2-(iodomethyl)-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-(iodomethyl)-4,5-dimethyl-1,3-oxazole (CID 64788348) is 2-(iodomethyl)-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-(iodomethyl)-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-(iodomethyl)-4,5-dimethyl-1,3-oxazole is Cc1nc(CI)oc1C.
What is the InChIKey of 2-(iodomethyl)-4,5-dimethyl-1,3-oxazole?
The InChIKey is FKSZCRBAYSLXEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8INO/c1-4-5(2)9-6(3-7)8-4/h3H2,1-2H3.
What are the key properties of 2-(iodomethyl)-4,5-dimethyl-1,3-oxazole?
2-(iodomethyl)-4,5-dimethyl-1,3-oxazole has a molecular weight of 237.04 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodomethyl)-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 64788348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).