Basic information
- CAS
613651-34-6- Standard SMILES
COc1ccc(Nc2oc(-c3ccc(OC)cc3)nc2C#N)cc1- InChIKey
QZTRFKCNOMGWIX-UHFFFAOYSA-N- Molecular formula
- C18H15N3O3
- Average molar mass
- 321.3 g/mol
- Monoisotopic mass
- 321.11134135
Names & identifiers
- Preferred name
- 5-(4-Methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
- IUPAC
- 5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile
Names & synonyms
5-(4-methoxyanilino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrileChemDiv3_006198Oprea1_168265613651-34-6MLS000769368CHEMBL1511243DTXSID101325804HMS1490J16HMS2806C15STK896333AKOS001695518CCG-117298
Show more names
IDI1_024108SMR000434102SR-01000104418SR-01000104418-12-(4-Methoxy-phenyl)-5-(4-methoxy-phenylamino)-oxazole-4-carbonitrile2-(4-methoxyphenyl)-5-((4-methoxyphenyl)amino)oxazole-4-carbonitrile2-(4-methoxyphenyl)-5-[(4-methoxyphenyl)amino]-1,3-oxazole-4-carbonitrile
Database identifiers
- CAS
613651-34-6- PubChem CID
- 950402
- DTXSID
DTXSID101325804- ChEMBL
CHEMBL1511243
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 436
Experimental & physicochemical properties
Solubility0.7 [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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