Propanoic acid, 2,2-dimethyl-, ((3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl)thio)methyl ester
Basic information
- CAS
345631-80-3- Standard SMILES
CC(C)(C)C(=O)OCSc1nc(-c2ccncc2)no1- InChIKey
SDZXIECAIKMIHA-UHFFFAOYSA-N- Molecular formula
- C13H15N3O3S
- Average molar mass
- 293.34 g/mol
- Monoisotopic mass
- 293.08341252
Names & identifiers
- Preferred name
- Propanoic acid, 2,2-dimethyl-, ((3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl)thio)methyl ester
- IUPAC
- (3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)sulfanylmethyl 2,2-dimethylpropanoate
Names & synonyms
345631-80-3Propanoic acid, 2,2-dimethyl-, ((3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl)thio)methyl esterPropanoic acid, 2,2-dimethyl-, [[3-(4-pyridinyl)-1,2,4-oxadiazol-5-yl]thio]methyl esterCHEMBL41760DTXSID70188107[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]sulfanylmethyl 2,2-dimethylpropanoate{[3-(PYRIDIN-4-YL)-1,2,4-OXADIAZOL-5-YL]SULFANYL}METHYL 2,2-DIMETHYLPROPANOATE
Database identifiers
- CAS
345631-80-3- PubChem CID
- 455231
- DTXSID
DTXSID70188107- ChEMBL
CHEMBL41760
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 329
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Related reactions
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Compound notes
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