Basic information
- CAS
120182-09-4- Standard SMILES
NC1=NCC(CN2CCN(c3cccc(Cl)c3)CC2)O1- InChIKey
LNIMUDTVDWATDY-UHFFFAOYSA-N- Molecular formula
- C14H19ClN4O
- Average molar mass
- 294.78 g/mol
- Monoisotopic mass
- 294.1247389
Names & identifiers
- Preferred name
- 2-Oxazolamine, 4,5-dihydro-5-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-
- IUPAC
- 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
Names & synonyms
BRN 54464824,5-Dihydro-5-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-2-oxazolamine120182-09-42-Oxazolamine, 4,5-dihydro-5-((4-(3-chlorophenyl)-1-piperazinyl)methyl)-RefChem:264575DTXSID909232595-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-4,5-dihydro-1,3-oxazol-2-amine5-{[4-(3-Chlorophenyl)piperazin-1-yl]methyl}-1,3-oxazolidin-2-imine
Database identifiers
- CAS
120182-09-4- PubChem CID
- 86182
- DTXSID
DTXSID90923259- Nikkaji
- J1.596.599A
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 357
Experimental & physicochemical properties
LogP1.83
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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