2-(4-Chlorobenzylthio)benzo[d]oxazol-5-amine
Basic information
- Standard SMILES
Nc1ccc2oc(SCc3ccc(Cl)cc3)nc2c1- InChIKey
WHCAUTSBZBIMDO-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2OS
- Average molar mass
- 290.8 g/mol
Names & identifiers
- Preferred name
- 2-(4-Chlorobenzylthio)benzo[d]oxazol-5-amine
- IUPAC
- 2-[(4-chlorophenyl)methylsulfanyl]-1,3-benzoxazol-5-amine
Names & synonyms
SCHEMBL2246099WHCAUTSBZBIMDO-UHFFFAOYSA-NAKOS0106160972-(4-Chlorobenzylthio)benzo[d]oxazol-5-amine
Database identifiers
- PubChem CID
- 61359274
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 299
Related reactions
6 records
Compound notes
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