5-Methyl-2-[4-[2-(5-methylbenzoxazol-2-yl)vinyl]phenyl]benzoxazole
Basic information
- CAS
1552-46-1- Standard SMILES
Cc1ccc2oc(C=Cc3ccc(-c4nc5cc(C)ccc5o4)cc3)nc2c1- InChIKey
UYEBVQUTQHTYOU-UHFFFAOYSA-N- Molecular formula
- C24H18N2O2
- Average molar mass
- 366.4 g/mol
- Monoisotopic mass
- 366.13682782
Overview
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Names & identifiers
- Preferred name
- 5-Methyl-2-[4-[2-(5-methylbenzoxazol-2-yl)vinyl]phenyl]benzoxazole
- IUPAC
- 5-methyl-2-[4-[2-(5-methyl-1,3-benzoxazol-2-yl)ethenyl]phenyl]-1,3-benzoxazole
- English name
- 5-methyl-2-[4-[2-(5-methylbenzoxazol-2-yl)vinyl]phenyl]benzoxazole
- Molecular formula
- C24H18N2O2
- Molecular weight
- 366.41
Names & synonyms
1552-46-1SCHEMBL318304SCHEMBL3183055-Methyl-2-[4-[2-(5-methylbenzoxazol-2-yl)vinyl]phenyl]benzoxazoleSCHEMBL298819205-Methyl-2-{4-[2-(5-methyl-1,3-benzoxazol-2-yl)ethen-1-yl]phenyl}-1,3-benzoxazole
Database identifiers
- CAS
1552-46-1- PubChem CID
- 73774
- DTXSID
DTXSID7061770- EC Number
- 216-294-0
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 559
Physicochemical properties
- Melting point
- 253 · 253-255 °C
- Boiling point
- 547.476 · 547.476±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.26 · 1.260±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.802 · 2.802±0.10(predicted)
- EPA Substance Registry System
- 5 · Benzoxazole, 5-methyl-2-[4-[2-(5-methyl-2-benzoxazolyl)ethenyl]phenyl]- (1552-46-1)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
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Related reactions
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Compound notes
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