2-(5-Cyano-2-thienyl)-4-[4-[3-(1-imidazolyl)propyl]phenoxymethyl]oxazole
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Basic information
- Standard SMILES
N#Cc1ccc(-c2nc(COc3ccc(CCCn4ccnc4)cc3)co2)s1- InChIKey
RGGIOKFLEPPDEB-UHFFFAOYSA-N- Molecular formula
- C21H18N4O2S
- Average molar mass
- 390.5 g/mol
Names & identifiers
- Preferred name
- 2-(5-Cyano-2-thienyl)-4-[4-[3-(1-imidazolyl)propyl]phenoxymethyl]oxazole
- IUPAC
- 5-[4-[[4-(3-imidazol-1-ylpropyl)phenoxy]methyl]-1,3-oxazol-2-yl]thiophene-2-carbonitrile
Names & synonyms
SCHEMBL5758998RGGIOKFLEPPDEB-UHFFFAOYSA-N2-(5-cyano-2-thienyl)-4-[4-[3-(1-imidazolyl)propyl]phenoxymethyl]oxazole
Database identifiers
- PubChem CID
- 22009641
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 534
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Related reactions
1 records
Compound notes
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