2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide

C9H17N5O2 — CID 107436554

IUPAC2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESCN(C)CCc1noc(CNCC(N)=O)n1
InChIInChI=1S/C9H17N5O2/c1-14(2)4-3-8-12-9(16-13-8)6-11-5-7(10)15/h11H,3-6H2,1-2H3,(H2,10,15)
InChIKeyBLLHAVFOVSBSLN-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.25
Rot. Bonds7

About 2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide

2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide (PubChem CID 107436554) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide
PubChem CID107436554
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide
SMILESCN(C)CCc1noc(CNCC(N)=O)n1
InChIInChI=1S/C9H17N5O2/c1-14(2)4-3-8-12-9(16-13-8)6-11-5-7(10)15/h11H,3-6H2,1-2H3,(H2,10,15)
InChIKeyBLLHAVFOVSBSLN-UHFFFAOYSA-N
XLogP-1.25
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-Methyl-5-piperazin-2-yl-1,2,4-oxadiazole
CID 14742608
1-[1-(3-Ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine
CID 54592609
N-Methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)methanamine
CID 25219498
1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine
CID 28063751
1-(1-(3-Methyl-1,2,4-oxadiazol-5-yl)ethyl)piperazine
CID 54592607
1-Methyl-3-(3-methyl-1,2,4-oxadiazol-5-YL)piperazine
CID 14742613
1-[[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine
CID 62312437
5-Ethyl-N-methyl-1,2,4-oxadiazole-3-methanamine, [(5-Ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amine
CID 28063889
N-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 29893179
4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132376
1-[4-[(3-Ethyl-1,2,4-oxadiazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 45805750
N,N-diethyl-4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carboxamide
CID 45815800

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The IUPAC name of 2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide (CID 107436554) is 2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide.
What is the SMILES notation for 2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The canonical SMILES for 2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide is CN(C)CCc1noc(CNCC(N)=O)n1.
What is the InChIKey of 2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
The InChIKey is BLLHAVFOVSBSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-14(2)4-3-8-12-9(16-13-8)6-11-5-7(10)15/h11H,3-6H2,1-2H3,(H2,10,15).
What are the key properties of 2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide?
2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide has a molecular weight of 227.27 g/mol, XLogP of -1.25, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methylamino]acetamide is sourced from PubChem (CID 107436554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).