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Basic information
- CAS
40056-80-2- Standard SMILES
COc1ccc(Nc2nnc(COc3cc(Cl)ccc3Cl)o2)cc1- InChIKey
YNZIEUVJYBEDAK-UHFFFAOYSA-N- Molecular formula
- C16H13Cl2N3O3
- Average molar mass
- 366.2 g/mol
- Monoisotopic mass
- 365.0333967
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-(4-methoxyphenyl)-
- IUPAC
- 5-[(2,5-dichlorophenoxy)methyl]-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine
Names & synonyms
BRN 10405155-[(2,5-dichlorophenoxy)methyl]-n-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amineDTXSID409605135-((2,5-Dichlorophenoxy)methyl)-N-(4-methoxyphenyl)-1,3,4-oxadiazol-2-amine1,3,4-Oxadiazol-2-amine, 5-((2,5-dichlorophenoxy)methyl)-N-(4-methoxyphenyl)-RefChem:216857DTXCID90138836540056-80-2
Database identifiers
- CAS
40056-80-2- PubChem CID
- 218044
- DTXSID
DTXSID40960513
Properties
Computed structural propertiesFilling in
- XLogP
- 4.4
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 386
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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