3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-phenyl-
Basic information
- CAS
145440-89-7- Standard SMILES
Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)on1- InChIKey
XTWPFDJGRQAMNO-UHFFFAOYSA-N- Molecular formula
- C18H16N2O2
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.12117776
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-phenyl-
- IUPAC
- N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
- English name
- 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-phenyl-
- Molecular formula
- C18H16N2O2
- Molecular weight
- 292.33
Names & synonyms
145440-89-73-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-phenyl-BRN 5822971N-(2,6-Dimethylphenyl)-5-phenyl-3-isoxazolecarboxamideDTXSID00163023RefChem:280253DTXCID7085514N-(2,6-dimethylphenyl)-5-phenyl-1,2-oxazole-3-carboxamideN-(2,6-dimethylphenyl)-5-phenylisoxazole-3-carboxamideSTL202888AKOS001531028ST45223522
Show more names
N-(2,6-dimethylphenyl)(5-phenylisoxazol-3-yl)carboxamide
Database identifiers
- CAS
145440-89-7- PubChem CID
- 3073010
- DTXSID
DTXSID00163023- Nikkaji
- J517.255A
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 413.7 · 413.7±45.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 11.11 · 11.11±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
- Comptox DTXSID
- 163023 · DTXSID00163023
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Compound notes
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