Basic information
- CAS
61428-22-6- Standard SMILES
Cc1onc(-c2ccccc2)c1C- InChIKey
KHSDNLGBBHFIAF-UHFFFAOYSA-N- Molecular formula
- C11H11NO
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.08406397
Names & identifiers
- Preferred name
- Isoxazole, 4,5-dimethyl-3-phenyl-
- IUPAC
- 4,5-dimethyl-3-phenyl-1,2-oxazole
Names & synonyms
61428-22-6Isoxazole, 4,5-dimethyl-3-phenyl-DTXSID70330442RefChem:350224DTXCID802815374,5-Dimethyl-3-phenylisoxazole4,5-dimethyl-3-phenyl-1,2-oxazoleNSC255242dimethylphenyl-isoxazoleSCHEMBL2205044SCHEMBL2205047SCHEMBL3131206
Show more names
SCHEMBL3136420SCHEMBL3146090NSC-255242
Database identifiers
- CAS
61428-22-6- PubChem CID
- 429448
- DTXSID
DTXSID70330442
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 165
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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