N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine

C10H19N3O2 — CID 116701643

IUPACN-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNCCc1nc(C(CC)OC)no1
InChIInChI=1S/C10H19N3O2/c1-4-8(14-3)10-12-9(15-13-10)6-7-11-5-2/h8,11H,4-7H2,1-3H3
InChIKeyUNPSGTODCYSQAZ-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.32
Rot. Bonds7

About N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine

N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 116701643) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID116701643
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCCNCCc1nc(C(CC)OC)no1
InChIInChI=1S/C10H19N3O2/c1-4-8(14-3)10-12-9(15-13-10)6-7-11-5-2/h8,11H,4-7H2,1-3H3
InChIKeyUNPSGTODCYSQAZ-UHFFFAOYSA-N
XLogP1.32
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-ethyl-2-[3-(1-methoxypropyl)-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

Related Compounds

5-(Azetidin-3-yl)-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 79316319
4-[(5-Ethyl-1,2,4-oxadiazol-3-yl)methoxy]piperidine
CID 54593351
1-{[3-(1-Ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane
CID 54595704
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)azetidine-1-carboxamide
CID 56764499
1-{[3-(1-Methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-1,4-diazepane
CID 71755474
2-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]morpholine-4-carboxamide
CID 72020013
2-[3-(Methoxymethyl)-1,2,4-oxadiazol-5-yl]ethan-1-amine hydrochloride
CID 53433689
{[3-(1-Ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}(methyl)amine
CID 54595741
2-(5-Methyl-1,2,4-oxadiazol-3-yl)morpholine hydrochloride
CID 71758668
2-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine hydrochloride
CID 75480797
N-(2-methoxyethyl)-N'-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 91917577
2-[5-(Propan-2-yl)-1,2,4-oxadiazol-3-yl]morpholine
CID 75480798

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 116701643) is N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine is CCNCCc1nc(C(CC)OC)no1.
What is the InChIKey of N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is UNPSGTODCYSQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-4-8(14-3)10-12-9(15-13-10)6-7-11-5-2/h8,11H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine?
N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 213.28 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 116701643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).