Basic information
- Standard SMILES
COc1ccc(-c2nc(CI)c(C)o2)cc1- InChIKey
CUPROPFTDOKVRM-UHFFFAOYSA-N- Molecular formula
- C12H12INO2
- Average molar mass
- 329.13 g/mol
- Monoisotopic mass
- 328.99128
Names & identifiers
- Preferred name
- 2-(4-Methoxyphenyl)-4-iodomethyl-5-methyloxazole
- IUPAC
- 4-(iodomethyl)-2-(4-methoxyphenyl)-5-methyl-1,3-oxazole
Names & synonyms
SCHEMBL1049550CUPROPFTDOKVRM-UHFFFAOYSA-N2-(4-methoxyphenyl)-4-iodomethyl-5-methyloxazole4-iodomethyl-2-(4 methoxyphenyl)-5-methyloxazole4-iodomethyl-2-(4-methoxyphenyl)-5-methyloxazole
Database identifiers
- PubChem CID
- 22493659
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 219
Related reactions
8 records
Compound notes
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