IUPAC name
diethyl[2-(5-imino-3-phenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl)ethyl]amine
SMILES
CCN(CC)CCN1C(=N)ON=C1C1=CC=CC=C1
Compound class
Cardiovascular System; Cardiac Therapy; Vasodilators Used in Cardiac Diseases;
Therapeutic area
Used in the treatment of angina pectoris and as a local anesthetic.
Common name
Imolamine
IUPAC name
diethyl[2-(5-imino-3-phenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl)ethyl]amine
SMILES
CCN(CC)CCN1C(=N)ON=C1C1=CC=CC=C1
INCHI
InChI=1S/C14H20N4O/c1-3-17(4-2)10-11-18-13(16-19-14(18)15)12-8-6-5-7-9-12/h5-9,15H,3-4,10-11H2,1-2H3
FORMULA
C14H20N4O
Common name
Imolamine
IUPAC name
diethyl[2-(5-imino-3-phenyl-4,5-dihydro-1,2,4-oxadiazol-4-yl)ethyl]amine
Molecular weight
260.335
clogP
2.091
clogS
-3.586
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
58.05
Number of Rings
2
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00005 | benzene |
|
c1ccccc1 | 0.2824 |
| FDBF00040 | ethanamine |
|
CCN | 0.0677 |
| FDBF00068 | N-methylethanamine |
|
N(CC)C | 0.0429 |
| FDBF00070 | N-ethylethanamine |
|
N(CC)CC | 0.0240 |
| FDBF00294 | N-ethyl-N-methyl-ethanamine |
|
C(C)N(CC)C | 0.0134 |
| FDBF00696 | N,N-diethylethanamine |
|
C(C)N(CC)CC | 0.0079 |
| FDBF04371 | 4-methyl-1,2,4-oxadiazol-5-imine |
|
o1ncn(c1=N)C | 0.0003 |
| FDBF04372 | 4-ethyl-1,2,4-oxadiazol-5-imine |
|
o1ncn(c1=N)CC | 0.0003 |
| FDBF04373 | 4-methyl-3-phenyl-1,2,4-oxadiazol-5-imine |
|
o1nc(n(c1=N)C)c2ccccc2 | 0.0003 |
| FDBF04374 | 4-ethyl-3-phenyl-1,2,4-oxadiazol-5-imine |
|
o1nc(n(c1=N)CC)c2ccccc2 | 0.0003 |
10 ,
2
