Basic information
- Standard SMILES
COC(=O)C(NC(=O)c1cc(-c2ccc(O)cc2)no1)C(C)C- InChIKey
NCQMTEJACRQJBV-UHFFFAOYSA-N- Molecular formula
- C16H18N2O5
- Average molar mass
- 318.32 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-(4-hydroxyphenyl)isoxazole-5-carboxamido)-3-methylbutanoate
- IUPAC
- methyl 2-[[3-(4-hydroxyphenyl)-1,2-oxazole-5-carbonyl]amino]-3-methylbutanoate
Names & synonyms
SCHEMBL2297343NCQMTEJACRQJBV-UHFFFAOYSA-NMethyl 2-(3-(4-hydroxyphenyl)isoxazole-5-carboxamido)-3-methylbutanoate
Database identifiers
- PubChem CID
- 136337389
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
3 records
Compound notes
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