Basic information
- CAS
5711-75-1- Standard SMILES
Nc1nnc(C(c2ccccc2)c2ccccc2)o1- InChIKey
ZVHSBFNKBJJDPN-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole, 2-amino-5-(diphenylmethyl)-
- IUPAC
- 5-benzhydryl-1,3,4-oxadiazol-2-amine
- English name
- 5-(Diphenylmethyl)-1,3,4-oxadiazol-2-amine
- Molecular formula
- C15H13N3O
- Molecular weight
- 251.28
Names & synonyms
BRN 00223081,3,4-Oxadiazole, 2-amino-5-(diphenylmethyl)-5711-75-12-Amino-5-(diphenylmethyl)-1,3,4-oxadiazoleDTXSID402057394-27-00-08134 (Beilstein Handbook Reference)RefChem:216919DTXCID201282305-(Diphenylmethyl)-1,3,4-oxadiazol-2-amineAKOS0251245695-Benzhydryl-[1,3,4]oxadiazol-2-ylamine1,3,4-Oxadiazol-2-amine, 5-(diphenylmethyl)-
Database identifiers
- CAS
5711-75-1- PubChem CID
- 201252
- DTXSID
DTXSID40205739- Nikkaji
- J42.558C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 211 · 211-212 °C
- Boiling point
- 447.5 · 447.5±55.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- -0.93 · -0.93±0.26(Predicted)
Chemistry & industry
Suppliers1 total
PRINCETON[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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