Basic information
- CAS
98034-32-3- Standard SMILES
Cc1cc(CCCCCCCOc2ccc(C3=NC(C)CO3)cc2)on1- InChIKey
NEAZMARKCJKUMF-UHFFFAOYSA-N- Molecular formula
- C21H28N2O3
- Average molar mass
- 356.5 g/mol
- Monoisotopic mass
- 356.20999276
Overview
WIN I(S) is an aromatic ether.
Names & identifiers
- Preferred name
- Isoxazole, 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
- IUPAC
- 3-methyl-5-[7-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-1,2-oxazole
Names & synonyms
98034-32-3Isoxazole, 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-Isoxazole, 5-[7-[4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy]heptyl]-3-methyl-RefChem:1087867WIN I(S)WIN 52084 (S)3-Methyl-5-(7-(4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy)heptyl)isoxazole120666-36-63-methyl-5-[7-[4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]heptyl]isoxazole5-(7-(4-(4,5-Dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methylisoxazole3-methyl-5-[7-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy]heptyl]-1,2-oxazoleCHEMBL6641
Show more names
SCHEMBL9668076CHEBI:10027PD035982C06497Q271085585-(7-(4-(4-Methyl-4,5-dihydrooxazol-2-yl)phenoxy)heptyl)-3-methylisoxazole
Database identifiers
- CAS
98034-32-3- PubChem CID
- 1790
- ChEMBL
CHEMBL6641
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 56.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
LogP4.95
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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