Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:53614 - 2-methyl-2-oxazoline
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
2-methyl-2-oxazoline
ChEBI ID
CHEBI:53614
Definition
A 5-membered heterocyclic compound, which is substituted in the 2-position with a methyl group and which is often used as a monomer in polymerisation reactions.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Nico Adams
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C4H7NO
Net Charge
0
Average Mass
85.10450
Monoisotopic Mass
85.05276
InChI
InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3
InChIKey
GUXJXWKCUUWCLX-UHFFFAOYSA-N
SMILES
CC1=NCCO1
ChEBI Ontology
Outgoing
2-methyl-2-oxazoline (
CHEBI:53614
)
is a
oxazoline (
CHEBI:38327
)
IUPAC Name
2-methyl-4,5-dihydro-1,3-oxazole
Synonyms
Sources
2-Methyl-2-oxazolin
SUBMITTER
2-Methyloxazoline
NIST Chemistry WebBook
Manual Xref
Database
63878
ChemSpider
View more database links
Registry Numbers
Types
Sources
104227
Beilstein Registry Number
Beilstein
1120-64-5
CAS Registry Number
NIST Chemistry WebBook
1120-64-5
CAS Registry Number
ChemIDplus
1565247
Gmelin Registry Number
Gmelin
Citation
Type
Source
21617802
PubMed citation
Europe PMC
Last Modified
07 April 2021
General Comment
2021-04-07
This molecule is derived from 2-oxazoline (IUPAC name: 4,5-dihydrooxazole) where "2" refers to the position of the double bond.