EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	Y2XP2RH2LJ
EPA CompTox	DTXSID20174257

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

Y2XP2RH2LJ

EPA CompTox

DTXSID20174257


InChI Key	DMLNXUUGRSBBBR-UHFFFAOYSA-N
Smiles	CC1(C)Oc2c(NC1=O)nccc2
InChI	InChI=1S/C9H10N2O2/c1-9(2)8(12)11-7-6(13-9)4-3-5-10-7/h3-5H,1-2H3,(H,10,11,12)

InChI Key

DMLNXUUGRSBBBR-UHFFFAOYSA-N

Smiles

CC1(C)Oc2c(NC1=O)nccc2

InChI

InChI=1S/C9H10N2O2/c1-9(2)8(12)11-7-6(13-9)4-3-5-10-7/h3-5H,1-2H3,(H,10,11,12)

Property Name	Value
Molecular Formula	C9H10N2O2
Molecular Weight	178.07
AlogP	1.84
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Polar Surface Area	54.71
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H10N2O2

Molecular Weight

178.07

AlogP

1.84

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Polar Surface Area

54.71

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	20348-21-4
NORMAN SUSDAT
FDA SRS	Y2XP2RH2LJ
PubChem	88501
ChemSpider	79852.0

Resources

Reference

CAS NUMBER

20348-21-4

NORMAN SUSDAT

FDA SRS

Y2XP2RH2LJ

PubChem

88501

ChemSpider

79852.0

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

2,2-DIMETHYL-2H-PYRIDO(3,2-B)-1,4-OXAZIN-3(4H)-ONE

Structure

Physicochemical Descriptors

Cross References