Basic information
- CAS
967-72-6- Standard SMILES
c1ccc(-c2nnc(-c3ccc4ccccc4c3)o2)cc1- InChIKey
PFFNHKOLVBEBJN-UHFFFAOYSA-N- Molecular formula
- C18H12N2O
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.09496301
Names & identifiers
- Preferred name
- 2-(2-Naphthyl)-5-phenyl-1,3,4-oxadiazole
- IUPAC
- 2-naphthalen-2-yl-5-phenyl-1,3,4-oxadiazole
Names & synonyms
2-(2-Naphthyl)-5-phenyl-1,3,4-oxadiazole967-72-6NSC-908022-phenyl-5-(2-naphthyl)-1,3,4-oxadiazol2-(naphthalen-2-yl)-5-phenyl-1,3,4-oxadiazoleNSC90802EINECS 213-525-7FZZ7MGV73RSCHEMBL715719SCHEMBL715720SCHEMBL27477472DTXSID90242396
Show more names
PFFNHKOLVBEBJN-UHFFFAOYSA-NNSC 90802NS000420532-(2-Naphthalenyl)-5-phenyl-1,3,4-oxadiazole1,3,4-Oxadiazole, 2-(2-naphthalenyl)-5-phenyl-2(2-NAPHTHYL)-5-PHENYL-1,3,4-OXADIAZOLE
Database identifiers
- CAS
967-72-6- PubChem CID
- 70409
- DTXSID
DTXSID90242396- UNII
- FZZ7MGV73R
- EC Number
- 213-525-7
- Nikkaji
- J298.570E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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