6,6'-Bis((S)-4-benzyl-4,5-dihydrooxazol-2-yl)-2,2'-bipyridine
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Basic information
- CAS
2088982-18-5- Standard SMILES
c1ccc(C[C@H]2COC(c3cccc(-c4cccc(C5=N[C@@H](Cc6ccccc6)CO5)n4)n3)=N2)cc1- InChIKey
BGOXNFZGFWMHTG-ZEQRLZLVSA-N- Molecular formula
- C30H26N4O2
- Average molar mass
- 474.6 g/mol
- Monoisotopic mass
- 474.20557608
Names & identifiers
- Preferred name
- 6,6'-Bis((S)-4-benzyl-4,5-dihydrooxazol-2-yl)-2,2'-bipyridine
- IUPAC
- (4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-2-pyridinyl]-2-pyridinyl]-4,5-dihydro-1,3-oxazole
- English name
- 6,6'-bis((S)-4-benzyl-4,5-dihydrooxazol-2-yl)-2,2'-bipyridine
- Molecular formula
- C30H26N4O2
- Molecular weight
- 474.55
Names & synonyms
2088982-18-5(S,S)-BIPYBOX-BN6,6'-Bis((S)-4-benzyl-4,5-dihydrooxazol-2-yl)-2,2'-bipyridine6,6'-Bis[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-2,2'-bipyridine(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydrooxazol-2-yl]-2-pyridyl]-2-pyridyl]-4,5-dihydrooxazoleC30H26N4O2AKOS040768499BS-45276CS-0097717E75002F8644922,2'-Bipyridine, 6,6'-bis[(4S)-4,5-dihydro-4-(phenylmethyl)-2-oxazolyl]-
Show more names
(4S)-4-benzyl-2-[6-[6-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole
Database identifiers
- CAS
2088982-18-5- PubChem CID
- 146013653
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 69 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 709
Physicochemical properties
- Boiling point
- 696.9 · 696.9±55.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Storage temp. -20°C
- pka
- 3.68 · 3.68±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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