3-(4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazol-3-yl)-N,N-dimethylaniline
Basic information
- CAS
603067-59-0- Standard SMILES
CN(C)c1cccc(-c2noc3c2CCN3)c1- InChIKey
XVKHDAVFQYDSMQ-UHFFFAOYSA-N- Molecular formula
- C13H15N3O
- Average molar mass
- 229.28 g/mol
- Monoisotopic mass
- 229.12151211
Names & identifiers
- Preferred name
- 3-(4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazol-3-yl)-N,N-dimethylaniline
- IUPAC
- 3-(5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazol-3-yl)-N,N-dimethylaniline
- English name
- Benzenamine, 3-(5,6-dihydro-4H-pyrrolo[3,2-d]isoxazol-3-yl)-N,N-dimethyl- (9CI)
- Molecular formula
- C13H15N3O
- Molecular weight
- 229.28
Names & synonyms
603067-59-03-(5,6-Dihydro-4H-pyrrolo[3,2-d]isoxazol-3-yl)-N,N-dimethylaniline3-(4,5-dihydro-2H-pyrrolo[3,2-d][1,2]oxazol-3-yl)-N,N-dimethylanilineDTXSID10421681BENZENAMINE, 3-(5,6-DIHYDRO-4H-PYRROLO[3,2-D]ISOXAZOL-3-YL)-N,N-DIMETHYL-DB-273772Benzenamine, 3-(5,6-dihydro-4H-pyrrolo[3,2-d]isoxazol-3-yl)-N,N-dimethyl- (9CI)
Database identifiers
- CAS
603067-59-0- PubChem CID
- 4029883
- DTXSID
DTXSID10421681
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 41.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 271
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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