Benzeneacetic acid, 4-(5-ethoxy-4-(1-methylethyl)-2-oxazolyl)-
Basic information
- CAS
80589-80-6- Standard SMILES
CCOc1oc(-c2ccc(CC(=O)O)cc2)nc1C(C)C- InChIKey
SCZOKIXFZGVNSA-UHFFFAOYSA-N- Molecular formula
- C16H19NO4
- Average molar mass
- 289.33 g/mol
- Monoisotopic mass
- 289.13140809
Names & identifiers
- Preferred name
- Benzeneacetic acid, 4-(5-ethoxy-4-(1-methylethyl)-2-oxazolyl)-
- IUPAC
- 2-[4-(5-ethoxy-4-propan-2-yl-1,3-oxazol-2-yl)phenyl]acetic acid
Names & synonyms
BRN 45195844-(5-Ethoxy-4-(1-methylethyl)-2-oxazolyl)benzeneacetic acid80589-80-6Benzeneacetic acid, 4-(5-ethoxy-4-(1-methylethyl)-2-oxazolyl)-RefChem:324204DTXSID301001335{4-[5-Ethoxy-4-(propan-2-yl)-1,3-oxazol-2-yl]phenyl}acetic acid
Database identifiers
- CAS
80589-80-6- PubChem CID
- 3062297
- DTXSID
DTXSID301001335
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…