Methyl 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
Basic information
- CAS
593287-05-9- Standard SMILES
COC(=O)c1ccccc1-c1nnc(-c2ccc(C)cc2)o1- InChIKey
WZMGMYQITITUJX-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.10044231
Names & identifiers
- Preferred name
- Methyl 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
- IUPAC
- methyl 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoate
Names & synonyms
593287-05-9Methyl 2-(5-(p-tolyl)-1,3,4-oxadiazol-2-yl)benzoateMethyl 2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoateDTXSID20787169
Database identifiers
- CAS
593287-05-9- PubChem CID
- 71363655
- DTXSID
DTXSID20787169
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
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Compound notes
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