Basic information
- CAS
21787-36-0- Standard SMILES
Cc1onc(-c2ccc([N+](=O)[O-])o2)c1C(=O)OC1CCN(C)CC1- InChIKey
VTMTVCHHVCVAQT-UHFFFAOYSA-N- Molecular formula
- C15H17N3O6
- Average molar mass
- 335.31 g/mol
- Monoisotopic mass
- 335.11173527
Names & identifiers
- Preferred name
- 4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 1-methyl-4-piperidyl ester
- IUPAC
- (1-methylpiperidin-4-yl) 5-methyl-3-(5-nitrofuran-2-yl)-1,2-oxazole-4-carboxylate
- English name
- 5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid 1-methyl-4-piperidyl ester
- Molecular formula
- C15H17N3O6
- Molecular weight
- 335.31
Names & synonyms
21787-36-04-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furyl)-, 1-methyl-4-piperidyl ester5-Methyl-3-(5-nitro-2-furyl)-4-isoxazolecarboxylic acid 1-methyl-4-piperidyl esterDTXSID20176195RefChem:293699DTXCID50986861-METHYLPIPERIDIN-4-YL 5-METHYL-3-(5-NITROFURAN-2-YL)-1,2-OXAZOLE-4-CARBOXYLATE4-Isoxazolecarboxylic acid, 5-methyl-3-(5-nitro-2-furanyl)-, 1-methyl-4-piperidinyl ester
Database identifiers
- CAS
21787-36-0- PubChem CID
- 30808
- DTXSID
DTXSID20176195- Nikkaji
- J94.661C
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 476
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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