Imidazo(2,1-b)oxazole, 2-heptyl-2,3-dihydro-2-methyl-6-nitro-
Basic information
- CAS
127692-23-3- Standard SMILES
CCCCCCCC1(C)Cn2cc([N+](=O)[O-])nc2O1- InChIKey
JXCLKRBKNMVJIW-UHFFFAOYSA-N- Molecular formula
- C13H21N3O3
- Average molar mass
- 267.32 g/mol
- Monoisotopic mass
- 267.15829154
Names & identifiers
- Preferred name
- Imidazo(2,1-b)oxazole, 2-heptyl-2,3-dihydro-2-methyl-6-nitro-
- IUPAC
- 2-heptyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
Names & synonyms
127692-23-3Imidazo(2,1-b)oxazole, 2-heptyl-2,3-dihydro-2-methyl-6-nitro-Imidazo[2,1-b]oxazole, 2-heptyl-2,3-dihydro-2-methyl-6-nitro-SCHEMBL22499816DTXSID709259532-heptyl-2-methyl-6-nitro-3H-imidazo[2,1-b]oxazole2-Heptyl-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b][1,3]oxazole
Database identifiers
- CAS
127692-23-3- PubChem CID
- 460738
- DTXSID
DTXSID70925953
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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