Basic information
- Standard SMILES
C#CCCCOc1c(C)cc(-c2nc(C)no2)cc1C- InChIKey
BWJYYBCTPFZWIG-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
Names & identifiers
- Preferred name
- 5-[3,5-Dimethyl-4-(3-ethynylpropoxy)phenyl]-3-methyl-1,2,4-oxadiazole
- IUPAC
- 5-(3,5-dimethyl-4-pent-4-ynoxyphenyl)-3-methyl-1,2,4-oxadiazole
Names & synonyms
SCHEMBL9205854BWJYYBCTPFZWIG-UHFFFAOYSA-N5-[3,5-Dimethyl-4-(3-ethynylpropoxy)phenyl]-3-methyl-1,2,4-oxadiazole
Database identifiers
- PubChem CID
- 15057293
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 48.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Related reactions
2 records
Compound notes
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