Methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate
Basic information
- CAS
64686-53-9- Standard SMILES
COC(=O)C1(C(C)C)N=C(c2ccccc2)OO1- InChIKey
AXKZCGMOHWBGNY-UHFFFAOYSA-N- Molecular formula
- C13H15NO4
- Average molar mass
- 249.26 g/mol
- Monoisotopic mass
- 249.10010796
Names & identifiers
- Preferred name
- Methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate
- IUPAC
- methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylate
Names & synonyms
64686-53-9methyl 5-phenyl-3-propan-2-yl-1,2,4-dioxazole-3-carboxylateNSC303573DTXSID30316444NSC-303573DS-014199Methyl 5-phenyl-3-(propan-2-yl)-3H-1,2,4-dioxazole-3-carboxylate3H-1,2,4-DIOXAZOLE-3-CARBOXYLICACID, 3-(1-METHYLETHYL)-5-PHENYL-, METHYL ESTER
Database identifiers
- CAS
64686-53-9- PubChem CID
- 327646
- DTXSID
DTXSID30316444
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
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Compound notes
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