2-(3-Amino-6-propylaminophenyl)-5-(4-chlorophenyl)benzoxazole
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Basic information
- Standard SMILES
CCCNc1ccc(N)cc1-c1nc2cc(-c3ccc(Cl)cc3)ccc2o1- InChIKey
PIDSLHOTJIIJLY-UHFFFAOYSA-N- Molecular formula
- C22H20ClN3O
- Average molar mass
- 377.9 g/mol
Names & identifiers
- Preferred name
- 2-(3-Amino-6-propylaminophenyl)-5-(4-chlorophenyl)benzoxazole
- IUPAC
- 2-[5-(4-chlorophenyl)-1,3-benzoxazol-2-yl]-1-N-propylbenzene-1,4-diamine
Names & synonyms
SCHEMBL5834161PIDSLHOTJIIJLY-UHFFFAOYSA-N2-(3-Amino-6-propylaminophenyl)-5-(4-chlorophenyl)benzoxazole
Database identifiers
- PubChem CID
- 21884441
Properties
Computed structural propertiesFilling in
- XLogP
- 5.9
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 470
Related reactions
2 records
Compound notes
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