5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine

C12H17N5O2 — CID 106968280

IUPAC5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NCc2ccccn2)o1
InChIInChI=1S/C12H17N5O2/c1-18-7-6-13-9-11-16-17-12(19-11)15-8-10-4-2-3-5-14-10/h2-5,13H,6-9H2,1H3,(H,15,17)
InChIKeyAQFHEKQGBTWJEE-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.81
Rot. Bonds8

About 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968280) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968280
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCOCCNCc1nnc(NCc2ccccn2)o1
InChIInChI=1S/C12H17N5O2/c1-18-7-6-13-9-11-16-17-12(19-11)15-8-10-4-2-3-5-14-10/h2-5,13H,6-9H2,1H3,(H,15,17)
InChIKeyAQFHEKQGBTWJEE-UHFFFAOYSA-N
XLogP0.81
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

5-(chloromethyl)-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106956482
N-[(4-bromophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968346
5-[(2-methoxyethylamino)methyl]-N-[(5-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106960372
5-[(2-methoxyethylamino)methyl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106970844
N-[2-(2-methoxyethoxy)ethyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970247
5-[(2-methoxyethylamino)methyl]-N-(2-thiophen-2-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106968158
5-[(2-methoxyethylamino)methyl]-N-[(3-methylthiophen-2-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106963512
5-[(2-methoxyethylamino)methyl]-N-pyridazin-3-yl-1,3,4-oxadiazol-2-amine
CID 106965280
N-[(2,5-difluorophenyl)methyl]-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106961530
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106966006
N-(2,6-difluorophenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968469
5-[(2-methoxyethylamino)methyl]-N-(1-phenylpropan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106960989

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 106968280) is 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine is COCCNCc1nnc(NCc2ccccn2)o1.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is AQFHEKQGBTWJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-18-7-6-13-9-11-16-17-12(19-11)15-8-10-4-2-3-5-14-10/h2-5,13H,6-9H2,1H3,(H,15,17).
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 263.30 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).