5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

C9H14N6O — CID 107496445

IUPAC5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2cn(CCN)cn2)n1
InChIInChI=1S/C9H14N6O/c1-14(2)9-12-8(16-13-9)7-5-15(4-3-10)6-11-7/h5-6H,3-4,10H2,1-2H3
InChIKeyWBWFWZDTISYOGL-UHFFFAOYSA-N
MW222.25 g/mol
LogP-0.04
Rot. Bonds4

About 5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine

5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 107496445) has the molecular formula C9H14N6O and a molecular weight of 222.25 g/mol. Its IUPAC name is 5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID107496445
Molecular FormulaC9H14N6O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2cn(CCN)cn2)n1
InChIInChI=1S/C9H14N6O/c1-14(2)9-12-8(16-13-9)7-5-15(4-3-10)6-11-7/h5-6H,3-4,10H2,1-2H3
InChIKeyWBWFWZDTISYOGL-UHFFFAOYSA-N
XLogP-0.04
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496065
2-[4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496326
2-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496109
2-[4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496402
2-[4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496465
4-[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]benzene-1,2-diol
CID 136888881
2-[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496449
2-[4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496193
4-[[5-[1-(2-aminoethyl)imidazol-4-yl]-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 107496062
2-[4-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496324
2-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)imidazol-1-yl]ethanamine
CID 107496057
2-[4-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]imidazol-1-yl]ethanamine
CID 107496103

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 107496445) is 5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(-c2cn(CCN)cn2)n1.
What is the InChIKey of 5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is WBWFWZDTISYOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O/c1-14(2)9-12-8(16-13-9)7-5-15(4-3-10)6-11-7/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 222.25 g/mol, XLogP of -0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 107496445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).