Basic information
- CAS
21059-65-4- Standard SMILES
CC(C)(O)C(O)COc1ccc(-c2coc(-c3cccnc3)n2)cc1- InChIKey
USNQTVHRQCVEFD-UHFFFAOYSA-N- Molecular formula
- C19H20N2O4
- Average molar mass
- 340.4 g/mol
- Monoisotopic mass
- 340.14230712
Names & identifiers
- Preferred name
- Halfordine
- IUPAC
- 3-methyl-1-[4-(2-pyridin-3-yl-1,3-oxazol-4-yl)phenoxy]butane-2,3-diol
- English name
- 3-Methyl-1-[4-[2-(3-pyridinyl)oxazol-4-yl]phenoxy]-2,3-butanediol
- Molecular formula
- C19H20N2O4
- Molecular weight
- 340.37
Names & synonyms
HalfordineDTXSID6034702921059-65-42,3-Butanediol, 3-methyl-1-[4-[2-(3-pyridinyl)-4-oxazolyl]phenoxy]-2,3-Butanediol, 3-methyl-1-(4-(2-(3-pyridinyl)-4-oxazolyl)phenoxy)-RefChem:347075DTXCID40298101USNQTVHRQCVEFD-UHFFFAOYSA-NSCHEMBL305250903-Methyl-1-[4-[2-(3-pyridinyl)oxazol-4-yl]phenoxy]-2,3-butanediol3-METHYL-1-{4-[2-(PYRIDIN-3-YL)-1,3-OXAZOL-4-YL]PHENOXY}BUTANE-2,3-DIOL3-Methyl-1-(4-[2-(3-pyridinyl)-1,3-oxazol-4-yl]phenoxy)-2,3-butanediol #
Show more names
Halfordine【alkaloid】2,3-Butanediol, 3-methyl-1-[4-[2-(3-pyridinyl)-4-oxazolyl]phenoxy]- (9CI)
Database identifiers
- CAS
21059-65-4- PubChem CID
- 617302
- DTXSID
DTXSID60347029- Nikkaji
- J19.886B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 412
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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