Basic information
- CAS
75876-37-8- Standard SMILES
CNCCCCCc1cc(-c2ccc([N+](=O)[O-])cc2)on1- InChIKey
QASAAPNLGXQKNT-UHFFFAOYSA-N- Molecular formula
- C15H19N3O3
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.14264148
Names & identifiers
- Preferred name
- N-methyl-5-[5-(4-nitrophenyl)-1,2-oxazol-3-yl]pentan-1-amine
- IUPAC
- N-methyl-5-[5-(4-nitrophenyl)-1,2-oxazol-3-yl]pentan-1-amine
Names & synonyms
75876-37-8N-methyl-5-[5-(4-nitrophenyl)-1,2-oxazol-3-yl]pentan-1-amineNSC277490DTXSID20313801NSC-277490
Database identifiers
- CAS
75876-37-8- PubChem CID
- 322003
- DTXSID
DTXSID20313801
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 83.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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