2-(2,6-DIFLUOROPHENYL)-4-(4-(METHYLTHIO)PHENYL)-4,5-DIHYDROOXAZOLE

/static/temp/default.svg Search structure
Molecule Category Free-form
Source Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Structure

InChI Key MRTYEZUSYZKVLE-UHFFFAOYSA-N
Smiles CSc1ccc(cc1)C2COC(=N2)c3c(F)cccc3F
InChI
InChI=1S/C16H13F2NOS/c1-21-11-7-5-10(6-8-11)14-9-20-16(19-14)15-12(17)3-2-4-13(15)18/h2-8,14H,9H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H13F2NOS
Molecular Weight 305.34
AlogP 4.33
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 46.89
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 21.0

Cross References

Resources Reference
ChEMBL CHEMBL2271563
PubChem 76308808
CONTENTS