Basic information
- CAS
87967-98-4- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1c(-c2ccccc2)noc1C- InChIKey
IOQVTCYDCVHJGZ-UHFFFAOYSA-N- Molecular formula
- C23H26N2O5
- Average molar mass
- 410.5 g/mol
- Monoisotopic mass
- 410.18417193
Names & identifiers
- Preferred name
- Diethyl 2,6-dimethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- diethyl 2,6-dimethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
NSC375974CHEMBL30590387967-98-4DTXSID50321454NSC-375974diethyl 2,6-dimethyl-4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylatediethyl 2,6-dimethyl-4-(5-methyl-3-phenyl-isoxazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylateDiethyl 2,6-dimethyl-4-(5-methyl-3-phenylisoxazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
87967-98-4- PubChem CID
- 341863
- DTXSID
DTXSID50321454- ChEMBL
CHEMBL305903- Nikkaji
- J336.845I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 683
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…