Isoxazole, 4,5-dihydro-3,5-diphenyl-
Basic information
- CAS
4894-23-9- Standard SMILES
c1ccc(C2=NOC(c3ccccc3)C2)cc1- InChIKey
JNTURVIUZIGWEQ-UHFFFAOYSA-N- Molecular formula
- C15H13NO
- Average molar mass
- 223.27 g/mol
- Monoisotopic mass
- 223.09971404
Names & identifiers
- Preferred name
- Isoxazole, 4,5-dihydro-3,5-diphenyl-
- IUPAC
- 3,5-diphenyl-4,5-dihydro-1,2-oxazole
- English name
- 3,5-Diphenyl-2-isoxazoline
- Molecular formula
- C15H13NO
- Molecular weight
- 223.27
Names & synonyms
4894-23-9Isoxazole, 4,5-dihydro-3,5-diphenyl-RefChem:10878623,5-diphenyl-4,5-dihydro-1,2-oxazole4,5-Dihydro-3,5-diphenylisoxazole3,5-diphenyl-2-isoxazoline3,5-Diphenyl-4,5-dihydroisoxazoleNSC916473,5-DiphenylisoxazolineSCHEMBL3969669SCHEMBL6939090CHEMBL4291531
Show more names
NSC 91647NSC-91647AKOS004905604DB-099590N13330
Database identifiers
- CAS
4894-23-9- PubChem CID
- 98238
- ChEMBL
CHEMBL4291531- Nikkaji
- J5.199C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 21.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Melting point
- 75 · 75-76 °C
- Boiling point
- 351.4 · 351.4±45.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
Chemistry & industry
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Compound notes
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