Proxazole
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Basic information
- CAS
31363-08-3- Standard SMILES
CCC(c1ccccc1)c1noc(CCN(CC)CC)n1- InChIKey
OLTAWOVKGWWERU-UHFFFAOYSA-N- Molecular formula
- C17H25N3O
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.19976243
Overview
Proxazole is an alkylbenzene.
Names & identifiers
- Preferred name
- Proxazole
- IUPAC
- N,N-diethyl-2-[3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
- English name
- (-)-5-[2-(Diethylamino)ethyl]-3-(α-ethylbenzyl)-1,2,4-oxadiazole
- Molecular formula
- C17H25N3O
- Molecular weight
- 287.4
Names & synonyms
ProxazolepropoxalineProxazol5696-09-3ProxazolumFD72T13M0KDTXSID90859261proxazoloRefChem:930124A03AX07DTXCID401972863 alpha-phenylpropyl-5 beta-diethylaminoethyl-1,2,4-oxadiazole
Show more names
3-(alpha-ethylbenzyl)-5-(2-diethylaminoethyl)-1,2,4-oxadiazolediethyl((2-(3-(1-phenylpropyl)-1,2,4-oxadiazol-5-yl)ethyl))amine(+)-Proxazole(-)-ProxazoleProxazole, (+)-Proxazole, (-)-6MRD2SLE7WBRN 0679871
Database identifiers
- CAS
31363-08-3、31363-09-4、31363-10-7、5696-09-3- PubChem CID
- 8590
- DTXSID
DTXSID90859261- ChEMBL
CHEMBL2106997- ChEBI
CHEBI:135191- UNII
- 6MRD2SLE7W、FD72T13M0K、J64JY9AH7H
- Nikkaji
- J77.222D、J77.223B、J8.051I
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 407.1 · 407.1±55.0 °C(Predicted)
- Density
- 1.034 · 1.034±0.06 g/cm3(Predicted)
- pka
- 9.42 · 9.42±0.25(Predicted)
- FDA UNII
- 64 JY9AH7H · J64JY9AH7H
Chemistry & industry
Pharmacology
ATC Code
A - Alimentary tract and metabolism
QA - Alimentary tract and metabolism
Additional notes
DefinitionChEBI: Proxazole is an alkylbenzene.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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