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Basic information
- CAS
40056-78-8- Standard SMILES
Cc1ccc(Nc2nnc(COc3cc(Cl)ccc3Cl)o2)cc1- InChIKey
NMIPHGGCBSOPIZ-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2N3O2
- Average molar mass
- 350.2 g/mol
- Monoisotopic mass
- 349.0384821
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-(4-methylphenyl)-
- IUPAC
- 5-[(2,5-dichlorophenoxy)methyl]-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amine
Names & synonyms
BRN 10360255-[(2,5-dichlorophenoxy)methyl]-n-(4-methylphenyl)-1,3,4-oxadiazol-2-amineDTXSID809605121,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-(4-methylphenyl)-5-((2,5-Dichlorophenoxy)methyl)-N-(4-methylphenyl)-1,3,4-oxadiazol-2-amineRefChem:216858DTXCID20138836440056-78-8
Database identifiers
- CAS
40056-78-8- PubChem CID
- 218042
- DTXSID
DTXSID80960512
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 369
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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