5-(4-Butoxyphenyl)-3-cyclohexyl-1,2,4-oxadiazole
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Basic information
- CAS
337336-34-2- Standard SMILES
CCCCOc1ccc(-c2nc(C3CCCCC3)no2)cc1- InChIKey
USNXYFNGYVISPC-UHFFFAOYSA-N- Molecular formula
- C18H24N2O2
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.18377801
Names & identifiers
- Preferred name
- 5-(4-Butoxyphenyl)-3-cyclohexyl-1,2,4-oxadiazole
- IUPAC
- 5-(4-butoxyphenyl)-3-cyclohexyl-1,2,4-oxadiazole
- English name
- 5-(4-butoxyphenyl)-3-cyclohexyl-1,2,4-oxadiazole
- Molecular formula
- C18H24N2O2
- Molecular weight
- 300.4
Names & synonyms
5-(4-butoxyphenyl)-3-cyclohexyl-1,2,4-oxadiazoleCBMicro_006716SCHEMBL246523SMSF0008557AKOS000618477CB09369337336-34-2BIM-0006714.P001ST51174743AG-690/137035741,2,4-Oxadiazole, 5-(4-butoxyphenyl)-3-cyclohexyl-
Database identifiers
- CAS
337336-34-2- PubChem CID
- 1727885
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 442.6 · 442.6±47.0 °C(Predicted)
- Density
- 1.077 · 1.077±0.06 g/cm3(Predicted)
- pka
- 0.03 · 0.03±0.32(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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