N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine

C6H11N3O — CID 54031300

IUPACN,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCN(C)CCc1ncno1
InChIInChI=1S/C6H11N3O/c1-9(2)4-3-6-7-5-8-10-6/h5H,3-4H2,1-2H3
InChIKeyXKHNEQRJUZWVDL-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.17
Rot. Bonds3

About N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine

N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 54031300) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID54031300
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCN(C)CCc1ncno1
InChIInChI=1S/C6H11N3O/c1-9(2)4-3-6-7-5-8-10-6/h5H,3-4H2,1-2H3
InChIKeyXKHNEQRJUZWVDL-UHFFFAOYSA-N
XLogP0.17
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 54031300) is N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine is CN(C)CCc1ncno1.
What is the InChIKey of N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is XKHNEQRJUZWVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-9(2)4-3-6-7-5-8-10-6/h5H,3-4H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 141.17 g/mol, XLogP of 0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 54031300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).