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

C9H12N4O2 — CID 115747822

IUPAC5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2ccc(CN)o2)n1
InChIInChI=1S/C9H12N4O2/c1-13(2)9-11-8(15-12-9)7-4-3-6(5-10)14-7/h3-4H,5,10H2,1-2H3
InChIKeyYMVGGUBNXZDICT-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.85
Rot. Bonds3

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

5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 115747822) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID115747822
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN(C)c1noc(-c2ccc(CN)o2)n1
InChIInChI=1S/C9H12N4O2/c1-13(2)9-11-8(15-12-9)7-4-3-6(5-10)14-7/h3-4H,5,10H2,1-2H3
InChIKeyYMVGGUBNXZDICT-UHFFFAOYSA-N
XLogP0.85
TPSA81.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 115529364
[5-(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)furan-2-yl]methanamine
CID 116807317
[5-[3-(5,6-dimethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 103344546
[5-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 116741810
5-(2-aminophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115747800
2-[5-(5-ethylfuran-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 79084815
[5-[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]methanamine
CID 82809820
5-(2-amino-5-bromophenyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799524
5-(3-aminothiophen-2-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799632
5-(aminomethyl)-N,N-dimethylfuran-2-amine
CID 82418188
5-[1-(2-aminoethyl)imidazol-4-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 107496445
5-(2-amino-5-ethylthiophen-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 116799523

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine (CID 115747822) is 5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is CN(C)c1noc(-c2ccc(CN)o2)n1.
What is the InChIKey of 5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is YMVGGUBNXZDICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-13(2)9-11-8(15-12-9)7-4-3-6(5-10)14-7/h3-4H,5,10H2,1-2H3.
What are the key properties of 5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine?
5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 208.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)furan-2-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 115747822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).