EcoDrugPlus


Synonyms	Oxazolidine
Status
Molecule Category	UNKNOWN
UNII	13F52UF6MR
EPA CompTox	DTXSID50198446

Synonyms

Oxazolidine

Status

Molecule Category

UNKNOWN

UNII

13F52UF6MR

EPA CompTox

DTXSID50198446


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70


InChI Key	WYNCHZVNFNFDNH-UHFFFAOYSA-N
Smiles	C1COCN1
InChI	InChI=1S/C3H7NO/c1-2-5-3-4-1/h4H,1-3H2

InChI Key

WYNCHZVNFNFDNH-UHFFFAOYSA-N

Smiles

C1COCN1

InChI

InChI=1S/C3H7NO/c1-2-5-3-4-1/h4H,1-3H2

Property Name	Value
Molecular Formula	C3H7NO
Molecular Weight	73.09
AlogP	-0.44
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	0.0
Polar Surface Area	21.26
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	5.0

Property Name

Value

Molecular Formula

C3H7NO

Molecular Weight

73.09

AlogP

-0.44

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

0.0

Polar Surface Area

21.26

Molecular species

BASE

Aromatic Rings

0.0

Heavy Atoms

5.0

Resources	Reference
ChEBI	50310
ChEMBL	CHEMBL4297314
FDA SRS	13F52UF6MR
PubChem	536683
SureChEMBL	SCHEMBL22743
ZINC	ZINC000032190427

Resources

Reference

ChEBI

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

OXAZOLIDINE

Structure

Physicochemical Descriptors

Cross References