5-(4-Phenylphenyl)-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
Basic information
- CAS
356039-40-2- Standard SMILES
CCCC1CCC(C2CCC(c3noc(-c4ccc(-c5ccccc5)cc4)n3)CC2)CC1- InChIKey
NHAXVEBJEMIHHT-UHFFFAOYSA-N- Molecular formula
- C29H36N2O
- Average molar mass
- 428.6 g/mol
- Monoisotopic mass
- 428.28276378
Names & identifiers
- Preferred name
- 5-(4-Phenylphenyl)-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
- IUPAC
- 5-(4-phenylphenyl)-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazole
- English name
- 5-[1,1'-biphenyl]-4-yl-3-(4'-propyl[1,1'-bicyclohexyl]-4 yl)-1,2,4-oxadiazole
- Molecular formula
- C29H36N2O
- Molecular weight
- 428.60894
Names & synonyms
5-Biphenyl-4-yl-3-(4'-propyl-bicyclohexyl-4-yl)-[1,2,4]oxadiazole5-(4-phenylphenyl)-3-[4-(4-propylcyclohexyl)cyclohexyl]-1,2,4-oxadiazoleAKOS002083315AG-690/09283030SR-01000552241SR-01000552241-15-([1,1'-biphenyl]-4-yl)-3-[4'-propyl[1,1'-bi(cyclohexan)]-4-yl]-1,2,4-oxadiazole5-[1,1'-biphenyl]-4-yl-3-(4'-propyl[1,1'-bicyclohexyl]-4 yl)-1,2,4-oxadiazole
Database identifiers
- CAS
356039-40-2- PubChem CID
- 3100643
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 537
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Compound notes
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