5-(Azetidin-3-ylidenemethyl)-3-methylisoxazole
Basic information
- CAS
186964-03-4- Standard SMILES
Cc1cc(C=C2CNC2)on1- InChIKey
JTEYXSGSTFBVKN-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
Names & identifiers
- Preferred name
- 5-(Azetidin-3-ylidenemethyl)-3-methylisoxazole
- IUPAC
- 5-(azetidin-3-ylidenemethyl)-3-methyl-1,2-oxazole
- English name
- Isoxazole, 5-(3-azetidinylidenemethyl)-3-methyl- (9CI)
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.1778
Names & synonyms
186964-03-45-(Azetidin-3-ylidenemethyl)-3-methylisoxazoleCHEMBL3585355-[(azetidin-3-ylidene)methyl]-3-methyl-1,2-oxazoleIsoxazole, 5-(3-azetidinylidenemethyl)-3-methyl-5-(azetidin-3-ylidenemethyl)-3-methyl-1,2-oxazoleIsoxazole, 5-(3-azetidinylidenemethyl)-3-methyl- (9CI)SCHEMBL7427405BDBM50472366DB-276918
Database identifiers
- CAS
186964-03-4- ChEMBL
CHEMBL358535- Nikkaji
- J1.244.031F
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 38.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 173
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…