Basic information
- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(c2nc(CCl)no2)C1c1cccc(F)c1- InChIKey
CSPVYFPSYMHTBE-UHFFFAOYSA-N- Molecular formula
- C18H17ClFN3O3
- Average molar mass
- 377.8 g/mol
- Monoisotopic mass
- 377.0942473
Names & identifiers
- Preferred name
- Methyl 1,4-dihydro-2,6-dimethyl-3-(3-chloromethyl-1,2,4-oxadiazol-5-yl)-4-(3-fluorophenyl)pyridine-5-carboxylate
- IUPAC
- methyl 5-[3-(chloromethyl)-1,2,4-oxadiazol-5-yl]-4-(3-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3-carboxylate
Names & synonyms
SCHEMBL7307501CSPVYFPSYMHTBE-UHFFFAOYSA-Nmethyl 1,4-dihydro-2,6-dimethyl-3-(3-chloromethyl-1,2,4-oxadiazol-5-yl)-4-(3-fluorophenyl)pyridine-5-carboxylate
Database identifiers
- PubChem CID
- 135833461
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 77.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 625
Related reactions
1 records
Compound notes
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