Basic information
- CAS
24474-93-9- Standard SMILES
CC1=NCC(=O)O1- InChIKey
WKIXQUMETCNZKK-UHFFFAOYSA-N- Molecular formula
- C4H5NO2
- Average molar mass
- 99.09 g/mol
- Monoisotopic mass
- 99.0320284
Overview
structure given in first source; used to understand the mechanism involving oxazolone intermediates in some aminolysis reactions of peptide synthesis
Names & identifiers
- Preferred name
- 2-methyl-5(4H)-oxazolone
- IUPAC
- 2-methyl-4H-1,3-oxazol-5-one
- English name
- 2-methyl-5(4H)-oxazolone
- Molecular formula
- C4H5NO2
- Molecular weight
- 99.09
Names & synonyms
24474-93-92-Methyl-5(4H)-oxazolone5(4H)-Oxazolone, 2-methyl-DTXSID60179241RefChem:88157DTXCID901017322-methyl-4H-1,3-oxazol-5-one2-methyloxazol-5(4H)-one2-methyl-4H-oxazol-5-one2-methyl-4,5-dihydro-1,3-oxazol-5-one2-methyl-1,3-oxazol-5(4H)-oneNSC339473
Show more names
SCHEMBL1751893SCHEMBL1751894WKIXQUMETCNZKK-UHFFFAOYSA-NNSC 339473NSC-339473
Database identifiers
- CAS
24474-93-9- PubChem CID
- 193602
- DTXSID
DTXSID60179241- EC Number
- 872-142-9
- Nikkaji
- J855.389K
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
Uses2-Methyl-2-oxazolin-5-one is used for a multireference configuration interaction study with singles and doubles of some mesoionic rings to determine reaction and activation free energies for the ring-opening reaction.
Upstream & downstream products
Downstream products
Suppliers3 total
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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