Basic information
- Standard SMILES
CC(CNc1nnc(N)o1)COc1cccc(CN2CCCCC2)c1- InChIKey
AIUVCINSVSRIPU-UHFFFAOYSA-N- Molecular formula
- C18H27N5O2
- Average molar mass
- 345.4 g/mol
Names & identifiers
- Preferred name
- (+/-)-2-Amino-5-[3-[3-(piperidinomethyl)phenoxy]-2-methylpropylamino]-3,4-oxadiazole
- IUPAC
- 2-N-[2-methyl-3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]-1,3,4-oxadiazole-2,5-diamine
Names & synonyms
SCHEMBL10673936(.+/-.)-2-Amino-5-[3-[3-(piperidinomethyl)phenoxy]-2-methylpropylamino]-3,4-oxadiazole(+/-)-N-[2-Methyl-3-[3-(1-piperidinylmethyl)phenoxy]propyl]1,3,4-oxadiazole-2,5-diamine
Database identifiers
- PubChem CID
- 558686
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 380
Related reactions
1 records
Compound notes
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