Diethyl 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Basic information
- CAS
87967-96-2- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1c(C)noc1C- InChIKey
KHNYTFYQPKVXKP-UHFFFAOYSA-N- Molecular formula
- C18H24N2O5
- Average molar mass
- 348.4 g/mol
- Monoisotopic mass
- 348.16852187
Names & identifiers
- Preferred name
- Diethyl 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- diethyl 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
CHEMBL7494487967-96-2NSC375973CHEMBL2221282DTXSID90321453NSC-375973diethyl 4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Database identifiers
- CAS
87967-96-2- PubChem CID
- 341862
- DTXSID
DTXSID90321453- ChEMBL
CHEMBL2221282、CHEMBL74944- Nikkaji
- J336.846G
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 571
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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