3-(5-PHENYL-1,3,4-OXADIAZOL-2-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE

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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 NZWABGQNMXWUCJ-UHFFFAOYSA-N
Smiles O=C1N2C=CC=CC2=NC=C1c3oc(nn3)c4ccccc4
InChI
InChI=1S/C16H10N4O2/c21-16-12(10-17-13-8-4-5-9-20(13)16)15-19-18-14(22-15)11-6-2-1-3-7-11/h1-10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H10N4O2
Molecular Weight 290.28
AlogP 0.95
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 71.59
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Cross References

Resources Reference
ChEMBL CHEMBL2281519
PubChem 76323498
CONTENTS