2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine

C9H12N4O2 — CID 106413933

IUPAC2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
SMILESCc1nc(CCNCc2cnco2)no1
InChIInChI=1S/C9H12N4O2/c1-7-12-9(13-15-7)2-3-10-4-8-5-11-6-14-8/h5-6,10H,2-4H2,1H3
InChIKeyAKTCQYZUPOLZCL-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.70
Rot. Bonds5

About 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine (PubChem CID 106413933) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
PubChem CID106413933
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine
SMILESCc1nc(CCNCc2cnco2)no1
InChIInChI=1S/C9H12N4O2/c1-7-12-9(13-15-7)2-3-10-4-8-5-11-6-14-8/h5-6,10H,2-4H2,1H3
InChIKeyAKTCQYZUPOLZCL-UHFFFAOYSA-N
XLogP0.70
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine 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

2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrazin-2-ylmethyl)ethanamine
CID 106413859
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(pyrimidin-2-ylmethyl)ethanamine
CID 106415872
3-fluoro-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 103790275
[4-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]phenyl]methanol
CID 114186023
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 114185716
N-[(5-chloro-1,3-thiazol-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104878939
N-[(3-chloro-4-methylphenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 106833818
2,5-dimethyl-N-(1,3-oxazol-5-ylmethyl)pyrrol-1-amine
CID 79101202
N-[(5-tert-butylthiophen-2-yl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 103816282
2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]acetic acid
CID 106415961
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 113229290
1-methyl-5-[[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]methyl]pyrazole-4-carboxylic acid
CID 106416280

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine (CID 106413933) is 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine is Cc1nc(CCNCc2cnco2)no1.
What is the InChIKey of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine?
The InChIKey is AKTCQYZUPOLZCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-7-12-9(13-15-7)2-3-10-4-8-5-11-6-14-8/h5-6,10H,2-4H2,1H3.
What are the key properties of 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine?
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine has a molecular weight of 208.22 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(1,3-oxazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 106413933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).