Basic information
- CAS
144881-42-5- Standard SMILES
NC1=NCC(CN2CCN(c3ccccc3Cl)CC2)O1- InChIKey
WCLAXUCLVJWBAU-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-(2-chlorophenyl)-1-piperazinyl)methyl)-
- IUPAC
- 5-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
Names & synonyms
BRN 54476304,5-Dihydro-5-((4-(2-chlorophenyl)-1-piperazinyl)methyl)-2-oxazolamine144881-42-52-Oxazolamine, 4,5-dihydro-5-((4-(2-chlorophenyl)-1-piperazinyl)methyl)-RefChem:264570DTXSID409324375-{[4-(2-chlorophenyl)piperazin-1-yl]methyl}-4,5-dihydro-1,3-oxazol-2-amine5-{[4-(2-Chlorophenyl)piperazin-1-yl]methyl}-1,3-oxazolidin-2-imine
Database identifiers
- CAS
144881-42-5- PubChem CID
- 86252
- DTXSID
DTXSID40932437- Nikkaji
- J1.598.756A
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
LogP1.87
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…