Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-
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Basic information
- CAS
10364-68-8- Standard SMILES
CCc1nc(-c2ccccc2)no1- InChIKey
IWXUZMIVJPIVFM-UHFFFAOYSA-N- Molecular formula
- C10H10N2O
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.07931295
Names & identifiers
- Preferred name
- Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-
- IUPAC
- 5-ethyl-3-phenyl-1,2,4-oxadiazole
- English name
- Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-,
- Molecular formula
- C10H10N2O
- Molecular weight
- 174.2
Names & synonyms
5-ethyl-3-phenyl-1,2,4-oxadiazole10364-68-8Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-Oxadiazole, 1,2,4-, 5-ethyl-3-phenyl-,SCHEMBL91541SCHEMBL315338SCHEMBL315371SCHEMBL7977071DTXSID501459701,2,4-Oxadiazole, 5-ethyl-3-phenyl-
Database identifiers
- CAS
10364-68-8- PubChem CID
- 139136
- DTXSID
DTXSID50145970- Nikkaji
- J1.859.706C
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 104 °C · 104 °C
- Density
- 1.111 · 1.111±0.06 g/cm3(Predicted)
- pka
- -0.4 · -0.40±0.20(Predicted)
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Compound notes
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