Basic information
- Standard SMILES
COC(=O)C(NC(=O)c1ncc(-c2ccc([N+](=O)[O-])cc2)o1)C(C)C- InChIKey
YMVMOCDLYNEBHD-UHFFFAOYSA-N- Molecular formula
- C16H17N3O6
- Average molar mass
- 347.32 g/mol
- Monoisotopic mass
- 347.11173527
Names & identifiers
- Preferred name
- Methyl 3-methyl-2-(5-(4-nitrophenyl)oxazole-2-carboxamido)butanoate
- IUPAC
- methyl 3-methyl-2-[[5-(4-nitrophenyl)-1,3-oxazole-2-carbonyl]amino]butanoate
Names & synonyms
SCHEMBL1756313YMVMOCDLYNEBHD-UHFFFAOYSA-NMethyl 3-methyl-2-(5-(4-nitrophenyl)oxazole-2-carboxamido)butanoate
Database identifiers
- PubChem CID
- 67150348
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 499
Related reactions
2 records
Compound notes
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