Basic information
- CAS
117644-85-6- Standard SMILES
COC(=O)C1=CON(c2ccccc2)C1c1ccccc1- InChIKey
YSJKUEFWTPGBQR-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 4-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl ester
- IUPAC
- methyl 2,3-diphenyl-3H-1,2-oxazole-4-carboxylate
Names & synonyms
117644-85-64-Isoxazolecarboxylic acid, 2,3-dihydro-2,3-diphenyl-, methyl esterDTXSID70346629RefChem:293698DTXCID50297701YSJKUEFWTPGBQR-UHFFFAOYSA-NMethyl 2,3-diphenyl-2,3-dihydro-4-isoxazolecarboxylate #Methyl 2,3-diphenyl-2,3-dihydro-1,2-oxazole-4-carboxylate
Database identifiers
- CAS
117644-85-6- PubChem CID
- 613667
- DTXSID
DTXSID70346629
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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