2-(Cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl 1,2-oxazole-5-carboxylate
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Basic information
- CAS
606102-37-8- Standard SMILES
COc1ccc(C(OC(=O)c2ccno2)C(=O)NC2CCCC2)cc1- InChIKey
NIFNANZVFXORKO-UHFFFAOYSA-N- Molecular formula
- C18H20N2O5
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.13722174
Names & identifiers
- Preferred name
- 2-(Cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl 1,2-oxazole-5-carboxylate
- IUPAC
- [2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl] 1,2-oxazole-5-carboxylate
- English name
- 5-Isoxazolecarboxylicacid,2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethylester(9CI)
- Molecular formula
- C18H20N2O5
- Molecular weight
- 344.36
Names & synonyms
606102-37-82-(Cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl 1,2-oxazole-5-carboxylate2-(Cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl isoxazole-5-carboxylateDTXSID90390482AKOS000800197SR-01000342034SR-01000342034-15-Isoxazolecarboxylic acid, 2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl ester5-Isoxazolecarboxylicacid,2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethylester(9CI)
Database identifiers
- CAS
606102-37-8- PubChem CID
- 3224124
- DTXSID
DTXSID90390482
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 458
Physicochemical properties
- Boiling point
- 598.6 · 598.6±50.0 °C(Predicted)
- Density
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- pka
- 13.42 · 13.42±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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