Basic information
- CAS
33161-68-1- Standard SMILES
CCOC(=O)N(C)Cc1nc(-c2ccccc2)c(-c2ccccc2)o1- InChIKey
ZSDJJQHPPOGMNW-UHFFFAOYSA-N- Molecular formula
- C20H20N2O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1473925
Names & identifiers
- Preferred name
- Carbamic acid, ((4,5-diphenyl-2-oxazolyl)methyl)methyl-, ethyl ester
- IUPAC
- ethyl N-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-N-methylcarbamate
- English name
- N-[(4,5-Diphenyl-2-oxazolyl)methyl]-N-methylcarbamic acid ethyl ester
- Molecular formula
- C20H20N2O3
- Molecular weight
- 336.38
Names & synonyms
33161-68-1BRN 1226153CARBAMIC ACID, ((4,5-DIPHENYL-2-OXAZOLYL)METHYL)METHYL-, ETHYL ESTER((4,5-Diphenyl-2-oxazolyl)methyl)methylcarbamic acid ethyl esterDTXSID90186807RefChem:331683DTXCID90109298Ethyl ((4,5-diphenyloxazol-2-yl)methyl)(methyl)carbamateSCHEMBL11717774Ethyl [(4,5-diphenyl-1,3-oxazol-2-yl)methyl](methyl)carbamateN-[(4,5-Diphenyl-2-oxazolyl)methyl]-N-methylcarbamic acid ethyl esterCarbamic acid, [(4,5-diphenyl-2-oxazolyl)methyl]methyl-, ethyl ester (8CI,9CI)
Database identifiers
- CAS
33161-68-1- PubChem CID
- 36346
- DTXSID
DTXSID90186807- Nikkaji
- J67.594F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 419
Physicochemical properties
- Boiling point
- 450.6 · 450.6±24.0 °C(Predicted)
- Density
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- pka
- 0.83 · 0.83±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…