Basic information
- Standard SMILES
CCCCCCCCCCCCCCCCNc1ccc(C2=NCCO2)cc1- InChIKey
JRIBIHQILAYKBV-UHFFFAOYSA-N- Molecular formula
- C25H42N2O
- Average molar mass
- 386.6 g/mol
Names & identifiers
- Preferred name
- 2-[4-(Hexadecylamino)phenyl]oxazoline
- IUPAC
- 4-(4,5-dihydro-1,3-oxazol-2-yl)-N-hexadecylaniline
Names & synonyms
CHEMBL31153SCHEMBL11070753JRIBIHQILAYKBV-UHFFFAOYSA-N2-[4-(hexadecylamino)phenyl]oxazoline2-[4-(hexadecylamino)phenyl]-oxazoline
Database identifiers
- PubChem CID
- 20437370
- ChEMBL
CHEMBL31153
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 33.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 17
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 388
Related reactions
4 records
Compound notes
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