Basic information
- CAS
125674-72-8- Standard SMILES
CCOP(=O)(NCC(=O)OCc1ccccc1)C1CC(c2ccccc2)=NO1- InChIKey
MXQZFOLRLJIWSN-UHFFFAOYSA-N- Molecular formula
- C20H23N2O5P
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 402.13445884
Names & identifiers
- Preferred name
- Glycine, N-((4,5-dihydro-3-phenyl-5-isoxazolyl)ethoxyphosphinyl)-, phenylmethyl ester
- IUPAC
- benzyl 2-[[ethoxy-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphoryl]amino]acetate
Names & synonyms
N-(3-Phenyl-2-isoxazolin-5-yl(P-ethoxy)phosphonoyl)glycine benzyl ester125674-72-8N-((4,5-Dihydro-3-phenyl-5-isoxazolyl)ethoxyphosphinyl)glycine phenylmethyl esterGlycine, N-((4,5-dihydro-3-phenyl-5-isoxazolyl)ethoxyphosphinyl)-, phenylmethyl esterRefChem:346365SCHEMBL9751270DTXSID80925222Benzyl N-[ethoxy(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)phosphoryl]glycinate
Database identifiers
- CAS
125674-72-8- PubChem CID
- 3079445
- DTXSID
DTXSID80925222
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 86.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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