Molecular Details
DICL_CP_0307058
- 4,5-dihydro-1,3-oxazol-2-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307058
PubChem CID
Molecular Formula
C3H6N2O Molecular Weight
86.094 g/mol
Synonyms/Alias
[24665-93-8; 4;5-dihydro-1;3-oxazol-2-amine; 1;3-oxazolidin-2-imine; 2-oxazolamine; 4;5-dihydro-; Oxazolidin-(2Z)-ylideneamine; amino oxazoline; CHEMBL69446; NSC-43138; 2-amino-2-oxazoline; aminooxazo...
InChI Key
YAXGBZDYGZBRBQ-UHFFFAOYSA-N
InChI
InChI=1S/C3H6N2O/c4-3-5-1-2-6-3/h1-2H2,(H2,4,5)
IUPAC Name
4,5-dihydro-1,3-oxazol-2-amine
CAS Number
2987406-32-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
12 12 0 0 0 0 0 0 0 0999 V2000
-1.1872 0.7646 0.1872 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2464 -0.7098 -0.2432 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1157 -1.090...
Experimental Data
Activity Data
Target Ion Channel
Neuronal acetylcholine receptor subunit alpha-4/beta-2
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 95300 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
22 °C
Test Method
Binding assay ([3H] (-)-Nicotine)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
6
Rotatable Bonds
0
logP
-0.6687
Complexity
22.4414
TPSA (Ų)
47.61
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
1