4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
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Basic information
- CAS
866049-52-7- Standard SMILES
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1c[nH]c(C(=O)NCc2ccco2)c1- InChIKey
AQECGCAEAMGGDU-UHFFFAOYSA-N- Molecular formula
- C21H15Cl2N3O4
- Average molar mass
- 444.3 g/mol
Names & identifiers
- Preferred name
- 4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
- IUPAC
- 4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide
- English name
- 4-([3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide
- Molecular formula
- C21H15Cl2N3O4
- Molecular weight
- 444.27
Names & synonyms
866049-52-74-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-N-[(furan-2-yl)methyl]-1H-pyrrole-2-carboxamideSCHEMBL4946983AKOS0050990064-{[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide6R-03174-(3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl)-N-(furan-2-ylmethyl)-1H-pyrrole-2-carboxamide4-([3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl)-N-(2-furylmethyl)-1H-pyrrole-2-carboxamide1H-Pyrrole-2-carboxamide, 4-[[3-(2,6-dichlorophenyl)-5-methyl-4-isoxazolyl]carbonyl]-N-(2-furanylmethyl)-
Database identifiers
- CAS
866049-52-7
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 629
Physicochemical properties
- Boiling point
- 678.3 · 678.3±55.0 °C(Predicted)
- Density
- 1.427 · 1.427±0.06 g/cm3(Predicted)
- pka
- 13.04 · 13.04±0.50(Predicted)
Related reactions
0 records
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Compound notes
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