5-[(2-Methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
Basic information
- CAS
434304-24-2- Standard SMILES
COc1ccccc1Cc1nc(-c2cccnc2)no1- InChIKey
QKFHLXDJECULQJ-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.10077667
Names & identifiers
- Preferred name
- 5-[(2-Methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
- IUPAC
- 5-[(2-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole
Names & synonyms
434304-24-25-[(2-methoxyphenyl)methyl]-3-pyridin-3-yl-1,2,4-oxadiazole3-[5-(2-methoxybenzyl)-1,2,4-oxadiazol-3-yl]pyridineCambridge id 7003497MLS000762816CHEMBL1594538DTXSID301326246HMS2790H03STK322823AKOS001689576CCG-116856SMR000439768
Show more names
SR-01000248638SR-01000248638-15-(2-methoxybenzyl)-3-(pyridin-3-yl)-1,2,4-oxadiazole3-[5-(2-Methoxy-benzyl)-[1,2,4]oxadiazol-3-yl]-pyridine3-{5-[(2-METHOXYPHENYL)METHYL]-1,2,4-OXADIAZOL-3-YL}PYRIDINE
Database identifiers
- CAS
434304-24-2- PubChem CID
- 762571
- DTXSID
DTXSID301326246- ChEMBL
CHEMBL1594538
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
- 303
Experimental & physicochemical properties
Solubility31.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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