5-Oxazolepropanoic acid, 2-methyl-4-[3-(trifluoromethyl)phenyl]-
Basic information
- CAS
89150-23-2- Standard SMILES
Cc1nc(-c2cccc(C(F)(F)F)c2)c(CCC(=O)O)o1- InChIKey
CPRBZLXFXDHVBG-UHFFFAOYSA-N- Molecular formula
- C14H12F3NO3
- Average molar mass
- 299.24 g/mol
- Monoisotopic mass
- 299.07692773
Names & identifiers
- Preferred name
- 5-Oxazolepropanoic acid, 2-methyl-4-[3-(trifluoromethyl)phenyl]-
- IUPAC
- 3-[2-methyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propanoic acid
Names & synonyms
89150-23-23-(2-Methyl-4-(3-(trifluoromethyl)phenyl)oxazol-5-yl)propanoic acid5-Oxazolepropanoic acid, 2-methyl-4-[3-(trifluoromethyl)phenyl]-SCHEMBL10833017DTXSID50535271CPRBZLXFXDHVBG-UHFFFAOYSA-N3-{2-Methyl-4-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl}propanoic acid
Database identifiers
- CAS
89150-23-2- PubChem CID
- 13293286
- DTXSID
DTXSID50535271
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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