2-(4-Fluorophenyl)-5-(((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)methyl)-1,3,4-oxadiazole
Basic information
- CAS
793729-44-9- Standard SMILES
Fc1ccc(-c2nnc(CSc3nnc(-c4ccco4)o3)o2)cc1- InChIKey
RDVSQKOJZWNWAZ-UHFFFAOYSA-N- Molecular formula
- C15H9FN4O3S
- Average molar mass
- 344.3 g/mol
Names & identifiers
- Preferred name
- 2-(4-Fluorophenyl)-5-(((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)methyl)-1,3,4-oxadiazole
- IUPAC
- 2-(4-fluorophenyl)-5-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
- English name
- 1,3,4-Oxadiazole, 2-(4-fluorophenyl)-5-[[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-
- Molecular formula
- C15H9FN4O3S
- Molecular weight
- 344.32
Names & synonyms
793729-44-92-(4-Fluorophenyl)-5-(((5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)thio)methyl)-1,3,4-oxadiazoleTuberculosis inhibitor 12WAY-6374712-(4-fluorophenyl)-5-({[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-1,3,4-oxadiazole2-(4-fluorophenyl)-5-[[5-(2-furyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazoleC15H9FN4O3Sorb1943838AKOS033635185EBC-157142AS-88058DA-58787
Show more names
1,3,4-Oxadiazole, 2-(4-fluorophenyl)-5-[[[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]thio]methyl]-
HY-49071CS-0652008G67428T80925Z18650488
Database identifiers
- CAS
793729-44-9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 521.2 · 521.2±60.0 °C(Predicted)
- Density
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- form
- Solid
- pka
- -5.78 · -5.78±0.37(Predicted)
- color
- Yellow to brown
Chemistry & industry
Applications
UsesTuberculosis inhibitor 12 (compound 12) is an oxadiazole derivative and an inhibitor of Mycobacterium tuberculosis. The inhibition rates of Tuberculosis inhibitor 12 (20 μM) on 7H9-Tw-OADC and 7H9-Tw-OADC reached 82% and 78% respectively[1].
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Compound notes
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