5-Ethyl-5-methyl-3-(5-nitrofuran-2-yl)-2,5-dihydro-1,2,4-oxadiazole
Basic information
- CAS
438622-37-8- Standard SMILES
CCC1(C)N=C(c2ccc([N+](=O)[O-])o2)NO1- InChIKey
FCXDEUFYOAOBDL-UHFFFAOYSA-N- Molecular formula
- C9H11N3O4
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.07495584
Names & identifiers
- Preferred name
- 5-Ethyl-5-methyl-3-(5-nitrofuran-2-yl)-2,5-dihydro-1,2,4-oxadiazole
- IUPAC
- 5-ethyl-5-methyl-3-(5-nitrofuran-2-yl)-2H-1,2,4-oxadiazole
- English name
- 1,2,4-Oxadiazole,5-ethyl-2,5-dihydro-5-methyl-3-(5-nitro-2-furanyl)-(9CI)
- Molecular formula
- C9H11N3O4
- Molecular weight
- 225.2
Names & synonyms
438622-37-85-Ethyl-5-methyl-3-(5-nitrofuran-2-yl)-2,5-dihydro-1,2,4-oxadiazoleDB-2786291,2,4-OXADIAZOLE, 5-ETHYL-2,5-DIHYDRO-5-METHYL-3-(5-NITRO-2-FURANYL)-1,2,4-Oxadiazole,5-ethyl-2,5-dihydro-5-methyl-3-(5-nitro-2-furanyl)-(9CI)
Database identifiers
- CAS
438622-37-8- PubChem CID
- 45095589
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 92.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 327
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Compound notes
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