1,3,4-Oxadiazole, 3-acetyl-2,3-dihydro-2,2-dimethyl-5-(3-pyridinyl)-
Basic information
- CAS
89813-95-6- Standard SMILES
CC(=O)N1N=C(c2cccnc2)OC1(C)C- InChIKey
KMOBQQGERAPRGK-UHFFFAOYSA-N- Molecular formula
- C11H13N3O2
- Average molar mass
- 219.24 g/mol
- Monoisotopic mass
- 219.10077667
Names & identifiers
- Preferred name
- 1,3,4-Oxadiazole, 3-acetyl-2,3-dihydro-2,2-dimethyl-5-(3-pyridinyl)-
- IUPAC
- 1-(2,2-dimethyl-5-pyridin-3-yl-1,3,4-oxadiazol-3-yl)ethanone
Names & synonyms
89813-95-61,3,4-Oxadiazole, 3-acetyl-2,3-dihydro-2,2-dimethyl-5-(3-pyridinyl)-ST50229717Maybridge1_000419Oprea1_621384Oprea1_797630HMS542L01DTXSID00351241CCG-21418STK1513181-[2,2-dimethyl-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl]ethanoneAKOS000613410
Show more names
EU-0013107AG-205/08232051SR-01000502194SR-01000502194-1SR-01000502194-2BRD-K66851561-001-01-13-acetyl-2,2-dimethyl-5-(3-pyridyl)-1,3,4-oxadiazoline1-[2,2-Dimethyl-5-(pyridin-3-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Database identifiers
- CAS
89813-95-6- PubChem CID
- 694069
- DTXSID
DTXSID00351241
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 54.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 325
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Compound notes
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