EcoDrugPlus


Synonyms	Oxadiazon
Molecule Category	Free-form
UNII	C6U0E0YTP6
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 ...

Synonyms

Oxadiazon

Molecule Category

Free-form

UNII

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 ...


InChI Key	CHNUNORXWHYHNE-UHFFFAOYSA-N
Smiles	CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl
InChI	InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3

InChI Key

CHNUNORXWHYHNE-UHFFFAOYSA-N

Smiles

CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl

InChI

InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3

Property Name	Value
Molecular Formula	C15H18Cl2N2O3
Molecular Weight	345.22
AlogP	5.22
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	4.0
Polar Surface Area	51.13
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C15H18Cl2N2O3

Molecular Weight

345.22

AlogP

5.22

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

4.0

Polar Surface Area

51.13

Molecular species

NEUTRAL

Aromatic Rings

1.0

Heavy Atoms

22.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Chlorella salina	-	1000-1995.26	-	-	-
Gossypium hirsutum	-	79.43-199.53	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Chlorella salina

1000-1995.26

Gossypium hirsutum

79.43-199.53

Resources	Reference
ChEMBL	CHEMBL1080648
FDA SRS	C6U0E0YTP6
PubChem	29732
SureChEMBL	SCHEMBL38813
ZINC	ZINC05442490

Resources

Reference

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

OXADIAZON

Structure

Physicochemical Descriptors

Pharmacology

Cross References