2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

C9H17N3O2 — CID 103022247

IUPAC2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(C(C)(C)OC)n1
InChIInChI=1S/C9H17N3O2/c1-9(2,13-4)8-11-7(12-14-8)5-6-10-3/h10H,5-6H2,1-4H3
InChIKeyCMAOKUGKBGSWME-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.71
Rot. Bonds5

About 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine

2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (PubChem CID 103022247) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
PubChem CID103022247
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
SMILESCNCCc1noc(C(C)(C)OC)n1
InChIInChI=1S/C9H17N3O2/c1-9(2,13-4)8-11-7(12-14-8)5-6-10-3/h10H,5-6H2,1-4H3
InChIKeyCMAOKUGKBGSWME-UHFFFAOYSA-N
XLogP0.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine 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-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]methanol
CID 103020801
2-[5-[bromo(difluoro)methyl]-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 104632844
3-[(4-fluorophenoxy)methyl]-5-(2-methoxypropan-2-yl)-1,2,4-oxadiazole
CID 86819079
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 79201638
N-methyl-2-[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 53211498
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-4-methoxybenzamide
CID 110294299
2-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 65094639
2-[5-(1-fluoroethyl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine
CID 89034695
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662
1-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 103022224
2-(3-butyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-2-amine
CID 79404772
tert-butyl N-[2-[5-(1-hydroxy-2-methylpropan-2-yl)-1,2,4-oxadiazol-3-yl]ethyl]carbamate
CID 70853467

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The IUPAC name of 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine (CID 103022247) is 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine.
What is the SMILES notation for 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The canonical SMILES for 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is CNCCc1noc(C(C)(C)OC)n1.
What is the InChIKey of 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
The InChIKey is CMAOKUGKBGSWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,13-4)8-11-7(12-14-8)5-6-10-3/h10H,5-6H2,1-4H3.
What are the key properties of 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine?
2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine has a molecular weight of 199.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylethanamine is sourced from PubChem (CID 103022247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).