Basic information
- CAS
306279-72-1- Standard SMILES
CCOC(=O)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1- InChIKey
AESRNHRINLCZHF-UHFFFAOYSA-N- Molecular formula
- C20H17ClN2O4
- Average molar mass
- 384.8 g/mol
- Monoisotopic mass
- 384.0876847
Names & identifiers
- Preferred name
- Ethyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate
- IUPAC
- ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoate
- English name
- AURORA 1770
- Molecular formula
- C20H17ClN2O4
- Molecular weight
- 384.81
Names & synonyms
Ethyl 4-(3-(2-chlorophenyl)-5-methylisoxazole-4-carboxamido)benzoate306279-72-1ethyl 4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoateethyl 4-{[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino}benzoateOprea1_062397Oprea1_101602CHEMBL5496735STK873838AKOS000545797CCG-274827ST010566AB00088806-01
Show more names
AURORA 1770Benzoic acid, 4-[[[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]amino]-, ethyl ester
AG-690/36722036SR-01000478253SR-01000478253-1ethyl 4-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]benzoateethyl 4-{[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonylamino}benzoate4-((3-(2-CL-PH)-5-METHYL-ISOXAZOLE-4-CARBONYL)-AMINO)-BENZOIC ACID ETHYL ESTERethyl 4-({[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]carbonyl}amino)benzoate
Database identifiers
- CAS
306279-72-1- PubChem CID
- 985377
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Boiling point
- 494.2 · 494.2±45.0 °C(Predicted)
- Density
- 1.316 · 1.316±0.06 g/cm3(Predicted)
- pka
- 11.13 · 11.13±0.70(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 4 (100%)
Chemistry & industry
Suppliers4 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
AURORA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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