Basic information
- Standard SMILES
Clc1ccc(-c2nc3cc(OC[C@H]4CO4)ccc3o2)c(Cl)c1- InChIKey
CTNJFWOFGRALGT-NSHDSACASA-N- Molecular formula
- C16H11Cl2NO3
- Average molar mass
- 336.2 g/mol
- Monoisotopic mass
- 335.0115986
Names & identifiers
- Preferred name
- 5-[((2R)oxiran-2-yl)methoxy]-2-(2,4-dichlorophenyl)benzoxazole
- IUPAC
- 2-(2,4-dichlorophenyl)-5-[[(2R)-oxiran-2-yl]methoxy]-1,3-benzoxazole
Names & synonyms
SCHEMBL4041183CTNJFWOFGRALGT-NSHDSACASA-N5-[((2R)oxiran-2-yl)methoxy]-2-(2,4-dichlorophenyl)benzoxazole
Database identifiers
- PubChem CID
- 58719660
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Related reactions
2 records
Compound notes
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