Basic information
- CAS
329938-05-8- Standard SMILES
Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(Cl)ccc1Cl- InChIKey
SEKRPJSPFULZMU-UHFFFAOYSA-N- Molecular formula
- C17H11Cl3N2O2
- Average molar mass
- 381.6 g/mol
- Monoisotopic mass
- 379.988611
Names & identifiers
- Preferred name
- 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
- IUPAC
- 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
- English name
- 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-4-isoxazolecarboxamide
- Molecular formula
- C17H11Cl3N2O2
- Molecular weight
- 381.64
Names & synonyms
3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide1010129-39-13-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-4-isoxazolecarboxamideOprea1_297331Oprea1_358817GNF-Pf-4745CHEMBL584867STK042945AKOS001648311ST010568AG-690/11632295SR-01000478242
Show more names
4-Isoxazolecarboxamide, 3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methyl-3-(2-CL-PHENYL)-5-METHYL-ISOXAZOLE-4-CARBOXYLIC ACID (2,5-DICHLORO-PHENYL)-AMIDE
SR-01000478242-1Poly[9,9-dihexylfluorenyl-2,7-diyl] end capped with3-(2-chlorophenyl)-N-(2,5-dichlorophenyl)-5-methylisoxazole-4-carboxamideN-(2,5-dichlorophenyl)[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carboxamide
Database identifiers
- CAS
329938-05-8- PubChem CID
- 985379
- ChEMBL
CHEMBL584867
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Physicochemical properties
- Boiling point
- 459 · 459.0±45.0 °C(Predicted)
- Density
- 1.458 · 1.458±0.06 g/cm3(Predicted)
- pka
- 10.06 · 10.06±0.70(Predicted)
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]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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