5-Isoxazolamine, N-(2-methyl-3-(1-pyrrolidinyl)propyl)-3-phenyl-
Basic information
- CAS
86684-25-5- Standard SMILES
CC(CNc1cc(-c2ccccc2)no1)CN1CCCC1- InChIKey
GVOAJYBULRSARU-UHFFFAOYSA-N- Molecular formula
- C17H23N3O
- Average molar mass
- 285.4 g/mol
- Monoisotopic mass
- 285.18411237
Names & identifiers
- Preferred name
- 5-Isoxazolamine, N-(2-methyl-3-(1-pyrrolidinyl)propyl)-3-phenyl-
- IUPAC
- N-(2-methyl-3-pyrrolidin-1-ylpropyl)-3-phenyl-1,2-oxazol-5-amine
Names & synonyms
BRN 5566213N-(2-Methyl-3-(1-pyrrolidinyl)propyl)-3-phenyl-5-isoxazolamine86684-25-55-ISOXAZOLAMINE, N-(2-METHYL-3-(1-PYRROLIDINYL)PROPYL)-3-PHENYL-RefChem:303610DTXSID801007021N-[2-Methyl-3-(pyrrolidin-1-yl)propyl]-3-phenyl-1,2-oxazol-5-amine
Database identifiers
- CAS
86684-25-5- PubChem CID
- 55530
- DTXSID
DTXSID801007021
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 300
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Compound notes
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