EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID20888640

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID20888640


InChI Key	QJMLZAWFWIPNOD-UHFFFAOYSA-N
Smiles	CCC1COC(C)(CCC(C)C)N1
InChI	InChI=1S/C11H23NO/c1-5-10-8-13-11(4,12-10)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3

InChI Key

QJMLZAWFWIPNOD-UHFFFAOYSA-N

Smiles

CCC1COC(C)(CCC(C)C)N1

InChI

InChI=1S/C11H23NO/c1-5-10-8-13-11(4,12-10)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3

Property Name	Value
Molecular Formula	C11H23N1O1
Molecular Weight	185.18
AlogP	2.54
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	21.26
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H23N1O1

Molecular Weight

185.18

AlogP

2.54

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

21.26

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	137796-06-6
NORMAN SUSDAT
PubChem	5105001
ChemSpider	4280390.0

Resources

Reference

CAS NUMBER

137796-06-6

NORMAN SUSDAT

PubChem

5105001

ChemSpider

4280390.0

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...

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Last update: Monday, 3 November 2025

OXAZOLIDINE, 4-ETHYL-2-METHYL-2-(3-METHYLBUTYL)-

Structure

Physicochemical Descriptors

Cross References