3-tert-Butyl-6-(4-iodo-1,3-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridine
Basic information
- CAS
959977-74-3- Standard SMILES
CC(C)(C)c1nnc2ccc(-c3ocnc3I)cn12- InChIKey
XIQVFJPUOATLTQ-UHFFFAOYSA-N- Molecular formula
- C13H13IN4O
- Average molar mass
- 368.17 g/mol
- Monoisotopic mass
- 368.01341
Names & identifiers
- Preferred name
- 3-tert-Butyl-6-(4-iodo-1,3-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridine
- IUPAC
- 5-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-4-iodo-1,3-oxazole
Names & synonyms
959977-74-33-tert-Butyl-6-(4-iodo-1,3-oxazol-5-yl)[1,2,4]triazolo[4,3-a]pyridineDTXSID30723513
Database identifiers
- CAS
959977-74-3- PubChem CID
- 57356972
- DTXSID
DTXSID30723513
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
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Compound notes
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