4-PHENYL-2-P-TOLYL-4,5-DIHYDROOXAZOLE

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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 ITIICSKGFPUINV-UHFFFAOYSA-N
Smiles Cc1ccc(cc1)C2=NC(CO2)c3ccccc3
InChI
InChI=1S/C16H15NO/c1-12-7-9-14(10-8-12)16-17-15(11-18-16)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H15NO
Molecular Weight 237.3
AlogP 3.86
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 21.59
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 18.0

Cross References

Resources Reference
ChEMBL CHEMBL214163
PubChem 44414834
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