2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
Basic information
- CAS
78654-98-5- Standard SMILES
CC1=NC(C(C)C)C(=O)O1- InChIKey
VSYHWTNTZROWMJ-UHFFFAOYSA-N- Molecular formula
- C7H11NO2
- Average molar mass
- 141.17 g/mol
- Monoisotopic mass
- 141.07897859
Names & identifiers
- Preferred name
- 2-Methyl-4-(1-methylethyl)-5(4H)-oxazolone
- IUPAC
- 2-methyl-4-propan-2-yl-4H-1,3-oxazol-5-one
- English name
- 5(4H)-Oxazolone, 2-methyl-4-(1-methylethyl)-
- Molecular formula
- C7H11NO2
- Molecular weight
- 0
Names & synonyms
78654-98-52-Methyl-4-(1-methylethyl)-5(4H)-oxazoloneRefChem:263356NSC6359684-Isopropyl-2-methyl-1,3-oxazol-5(4H)-one5(4H)-Oxazolone, 2-methyl-4-(1-methylethyl)-CHEMBL1985096SCHEMBL13868020DTXSID001268431NSC-6359684-isopropyl-2-methyl-4H-oxazol-5-oneNCI60_011990
Show more names
PD011917DB-2840882-Methyl-4-(propan-2-yl)-1,3-oxazol-5(4H)-one
Database identifiers
- CAS
78654-98-5- PubChem CID
- 366908
- DTXSID
DTXSID001268431- ChEMBL
CHEMBL1985096
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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