3-Isoxazolecarboxamide, N-(2-chloro-6-methylphenyl)-5-methyl-
Basic information
- CAS
130403-02-0- Standard SMILES
Cc1cc(C(=O)Nc2c(C)cccc2Cl)no1- InChIKey
BMPNQHJHXIRYBE-UHFFFAOYSA-N- Molecular formula
- C12H11ClN2O2
- Average molar mass
- 250.68 g/mol
- Monoisotopic mass
- 250.0509053
Names & identifiers
- Preferred name
- 3-Isoxazolecarboxamide, N-(2-chloro-6-methylphenyl)-5-methyl-
- IUPAC
- N-(2-chloro-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
Names & synonyms
BRN 58169143-Isoxazolecarboxamide, N-(2-chloro-6-methylphenyl)-5-methyl-130403-02-0N-(2-Chloro-6-methylphenyl)-5-methyl-3-isoxazolecarboxamideDTXSID60156512RefChem:280257DTXCID0079003N-(2-chloro-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamideSCHEMBL9512456
Database identifiers
- CAS
130403-02-0- PubChem CID
- 3076178
- DTXSID
DTXSID60156512- Nikkaji
- J517.261F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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