3-Isoxazolecarboxamide, N-(2-(hydroxymethyl)-6-methylphenyl)-5-methyl-
Basic information
- CAS
145440-96-6- Standard SMILES
Cc1cc(C(=O)Nc2c(C)cccc2CO)no1- InChIKey
WOXJHEFWWVGYGV-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxamide, N-(2-(hydroxymethyl)-6-methylphenyl)-5-methyl-
- IUPAC
- N-[2-(hydroxymethyl)-6-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
Names & synonyms
BRN 58189913-Isoxazolecarboxamide, N-(2-(hydroxymethyl)-6-methylphenyl)-5-methyl-145440-96-6N-(2-Methyl-6-hydroxymethylphenyl)-5-methyl-3-isoxazolecarboxamideN-(2-(Hydroxymethyl)-6-methylphenyl)-5-methyl-3-isoxazolecarboxamideDTXSID20163025RefChem:280256DTXCID7085516N-[2-(hydroxymethyl)-6-methylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
Database identifiers
- CAS
145440-96-6- PubChem CID
- 3073017
- DTXSID
DTXSID20163025- Nikkaji
- J517.265I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 298
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Compound notes
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