Basic information
- Standard SMILES
N#CC1(c2ccc(-c3nc4ccccc4o3)cc2Cl)CCCCC1- InChIKey
AXMKHGBKYMBHOU-UHFFFAOYSA-N- Molecular formula
- C20H17ClN2O
- Average molar mass
- 336.8 g/mol
Names & identifiers
- Preferred name
- 1-[4-(1,3-Benzoxazol-2-yl)-2-chlorophenyl]cyclohexanecarbonitrile
- IUPAC
- 1-[4-(1,3-benzoxazol-2-yl)-2-chlorophenyl]cyclohexane-1-carbonitrile
Names & synonyms
SCHEMBL5832638AXMKHGBKYMBHOU-UHFFFAOYSA-N1-[4-(1,3-benzoxazol-2-yl)-2-chlorophenyl]cyclohexanecarbonitrile
Database identifiers
- PubChem CID
- 10172115
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 495
Related reactions
1 records
Compound notes
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