5-Isopropyl-2-(3-methoxyphenyl)-4-methyloxazole 3-oxide
Basic information
- Standard SMILES
COc1cccc(-c2oc(C(C)C)c(C)[n+]2[O-])c1- InChIKey
RXVSHJATYXGFHA-UHFFFAOYSA-N- Molecular formula
- C14H17NO3
- Average molar mass
- 247.29 g/mol
Names & identifiers
- Preferred name
- 5-Isopropyl-2-(3-methoxyphenyl)-4-methyloxazole 3-oxide
- IUPAC
- 2-(3-methoxyphenyl)-4-methyl-3-oxido-5-propan-2-yl-1,3-oxazol-3-ium
Names & synonyms
SCHEMBL3737294RXVSHJATYXGFHA-UHFFFAOYSA-N5-Isopropyl-2-(3-methoxyphenyl)-4-methyloxazole 3-oxide
Database identifiers
- PubChem CID
- 57718886
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 272
Related reactions
4 records
Compound notes
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