EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID4067931

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID4067931


InChI Key	QRHOVIGWDUTIHK-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)OCC12COCN1COC2
InChI	InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-18-12-21-15-19(18)16-22-13-18/h2-16H2,1H3

InChI Key

QRHOVIGWDUTIHK-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)OCC12COCN1COC2

InChI

InChI=1S/C18H33NO4/c1-2-3-4-5-6-7-8-9-10-11-17(20)23-14-18-12-21-15-19(18)16-22-13-18/h2-16H2,1H3

Property Name	Value
Molecular Formula	C18H33N1O4
Molecular Weight	327.24
AlogP	3.47
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	12.0
Polar Surface Area	48.0
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C18H33N1O4

Molecular Weight

327.24

AlogP

3.47

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

12.0

Polar Surface Area

48.0

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	35576-05-7
NORMAN SUSDAT
PubChem	118843
ChemSpider	106045.0

Resources

Reference

CAS NUMBER

35576-05-7

NORMAN SUSDAT

PubChem

118843

ChemSpider

106045.0

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

1H,3H,5H-OXAZOLO[3,4-C]OXAZOL-7A(7H)-YLMETHYL LAURATE

Structure

Physicochemical Descriptors

Cross References