5(4H)-Oxazolone, 4-(1-methylethyl)-
Basic information
- CAS
4526-83-4- Standard SMILES
CC(C)C1N=COC1=O- InChIKey
VNKZACZQXVQWKA-UHFFFAOYSA-N- Molecular formula
- C6H9NO2
- Average molar mass
- 127.14 g/mol
- Monoisotopic mass
- 127.06332853
Names & identifiers
- Preferred name
- 5(4H)-Oxazolone, 4-(1-methylethyl)-
- IUPAC
- 4-propan-2-yl-4H-1,3-oxazol-5-one
Names & synonyms
4526-83-45(4H)-Oxazolone, 4-(1-methylethyl)-DTXSID20445919RefChem:298055DTXCID703967404-Isopropyloxazol-5(4H)-oneSCHEMBL105875574-(Propan-2-yl)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
4526-83-4- PubChem CID
- 10855464
- DTXSID
DTXSID20445919- Nikkaji
- J2.837.868H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 151
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…