(4R,4'R)-2,2'-(Cycloheptane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
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Basic information
- CAS
2757082-19-0- Standard SMILES
c1ccc([C@@H]2COC(C3(C4=N[C@H](c5ccccc5)CO4)CCCCCC3)=N2)cc1- InChIKey
RUJBMFGGHJDJAB-VXKWHMMOSA-N- Molecular formula
- C25H28N2O2
- Average molar mass
- 388.5 g/mol
Names & identifiers
- Preferred name
- (4R,4'R)-2,2'-(Cycloheptane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
- IUPAC
- (4R)-4-phenyl-2-[1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cycloheptyl]-4,5-dihydro-1,3-oxazole
- English name
- Oxazole, 2,2′-cycloheptylidenebis[4,5-dihydro-4-phenyl-, (4R,4′R)-
- Molecular formula
- C25H28N2O2
- Molecular weight
- 388.5
Names & synonyms
(4R,4'R)-2,2'-(Cycloheptane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)2757082-19-0MFCD32201214SCHEMBL30450641BS-45916SY412860F72846F987888Oxazole, 2,2'-cycloheptylidenebis[4,5-dihydro-4-phenyl-, (4R,4'R)-(4R)-4-phenyl-2-[1-[(4R)-4-phenyl-4,5-dihydrooxazol-2-yl]cycloheptyl]-4,5-dihydrooxazole(4R,4'R)-2,2'-(Cycloheptane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole) - [C89938](4R,4'R)-2,2'-(Cycloheptane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole), 95%
Show more names
Oxazole, 2,2′-cycloheptylidenebis[4,5-dihydro-4-phenyl-, (4R,4′R)-
(4R)-4-phenyl-2-[1-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]cycloheptyl]-4,5-dihydro-1,3-oxazole(4R,4 inverted exclamation mark R)-2,2 inverted exclamation mark -(Cycloheptane-1,1-diyl)bis(4-phenyl-4,5-dihydrooxazole)
Database identifiers
- CAS
2757082-19-0
Properties
Computed structural propertiesFilling in
- XLogP
- 5.4
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 562
Physicochemical properties
- Boiling point
- 536.1 · 536.1±50.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- pka
- 5.05 · 5.05±0.70(Predicted)
- Appearance
- Off-white to light yellow Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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