3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(1-hydroxyethyl)-
Basic information
- CAS
145440-88-6- Standard SMILES
Cc1cccc(C)c1NC(=O)c1cc(C(C)O)on1- InChIKey
DXEGURMUCZDEPF-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(1-hydroxyethyl)-
- IUPAC
- N-(2,6-dimethylphenyl)-5-(1-hydroxyethyl)-1,2-oxazole-3-carboxamide
Names & synonyms
145440-88-63-Isoxazolecarboxamide, N-(2,6-dimethylphenyl)-5-(1-hydroxyethyl)-RefChem:1068090BRN 5819256N-(2,6-Dimethylphenyl)-5-(1-hydroxyethyl)-3-isoxazolecarboxamideDTXSID20932596N-(2,6-Dimethylphenyl)-5-(1-hydroxyethyl)-1,2-oxazole-3-carboximidic acid
Database identifiers
- CAS
145440-88-6- PubChem CID
- 3073009
- DTXSID
DTXSID20932596- Nikkaji
- J517.251I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 314
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Compound notes
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