Ethyl 3-methyl-4-[3-(trifluoromethyl)anilino][1,2]oxazolo[5,4-b]pyridine-5-carboxylate
Basic information
- CAS
39057-41-5- Standard SMILES
CCOC(=O)c1cnc2onc(C)c2c1Nc1cccc(C(F)(F)F)c1- InChIKey
YRWZBUHEHWBIPQ-UHFFFAOYSA-N- Molecular formula
- C17H14F3N3O3
- Average molar mass
- 365.31 g/mol
- Monoisotopic mass
- 365.0987258
Names & identifiers
- Preferred name
- Ethyl 3-methyl-4-[3-(trifluoromethyl)anilino][1,2]oxazolo[5,4-b]pyridine-5-carboxylate
- IUPAC
- ethyl 3-methyl-4-[3-(trifluoromethyl)anilino]-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
Names & synonyms
39057-41-5NSC235195DTXSID00311007NSC-235195Ethyl 3-methyl-4-[3-(trifluoromethyl)anilino][1,2]oxazolo[5,4-b]pyridine-5-carboxylate
Database identifiers
- CAS
39057-41-5- PubChem CID
- 314893
- DTXSID
DTXSID00311007
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 505
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Compound notes
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