4-[5-[(4-Methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridine
Basic information
- CAS
438622-95-8- Standard SMILES
COc1ccc(Cc2nc(-c3ccncc3)no2)cc1- InChIKey
UCMDGOWWUQIFFI-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.10077667
Names & identifiers
- Preferred name
- 4-[5-[(4-Methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridine
- IUPAC
- 5-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
Names & synonyms
438622-95-84-[5-[(4-Methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]pyridine4-(5-((4-Methoxyphenyl)methyl)-1,2,4-oxadiazol-3-yl)pyridine4-{5-[(4-METHOXYPHENYL)METHYL]-1,2,4-OXADIAZOL-3-YL}PYRIDINERefChem:2882734-[5-(4-methoxybenzyl)-1,2,4-oxadiazol-3-yl]pyridineOprea1_305267MLS000764876CHEMBL1383800DTXSID501185028HMS2690H145-[(4-methoxyphenyl)methyl]-3-pyridin-4-yl-1,2,4-oxadiazole
Show more names
STK116813AKOS000643415SMR000290481AN-988/40840589SR-01000486381SR-01000486381-15-(4-methoxybenzyl)-3-(pyridin-4-yl)-1,2,4-oxadiazole
Database identifiers
- CAS
438622-95-8- PubChem CID
- 806077
- DTXSID
DTXSID501185028- ChEMBL
CHEMBL1383800
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Experimental & physicochemical properties
Solubility35.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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