Basic information
- Standard SMILES
Cc1oc(-c2cc3ccccc3s2)nc1CCl- InChIKey
IXHUONFQZRJNDT-UHFFFAOYSA-N- Molecular formula
- C13H10ClNOS
- Average molar mass
- 263.74 g/mol
- Monoisotopic mass
- 263.0171628
Names & identifiers
- Preferred name
- 2-(2-Benzo[b]thienyl)-4-chloromethyl-5-methyloxazole
- IUPAC
- 2-(1-benzothiophen-2-yl)-4-(chloromethyl)-5-methyl-1,3-oxazole
Names & synonyms
SCHEMBL5761525IXHUONFQZRJNDT-UHFFFAOYSA-N2-(2-benzo[b]thienyl)-4-chloromethyl-5-methyloxazole
Database identifiers
- PubChem CID
- 22009649
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 278
Related reactions
2 records
Compound notes
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