N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine

C8H15N3O2 — CID 106401056

IUPACN-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCOCCNCCc1ncon1
InChIInChI=1S/C8H15N3O2/c1-2-12-6-5-9-4-3-8-10-7-13-11-8/h7,9H,2-6H2,1H3
InChIKeyIRPYZYFRRODGCD-UHFFFAOYSA-N
MW185.23 g/mol
LogP0.24
Rot. Bonds7

About N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine

N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine (PubChem CID 106401056) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
PubChem CID106401056
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC NameN-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine
SMILESCCOCCNCCc1ncon1
InChIInChI=1S/C8H15N3O2/c1-2-12-6-5-9-4-3-8-10-7-13-11-8/h7,9H,2-6H2,1H3
InChIKeyIRPYZYFRRODGCD-UHFFFAOYSA-N
XLogP0.24
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395589
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]dodecan-1-amine
CID 106400725
ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
3-ethylsulfanyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106396818
2-butoxy-N-(1,2,4-oxadiazol-3-ylmethyl)ethanamine
CID 106398905
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propan-1-amine
CID 106395964
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenoxypropan-1-amine
CID 114184065
methyl 2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]acetate
CID 106401045
2-(ethoxymethyl)-6-N-ethyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106412236
2-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentan-1-amine
CID 106396000
N-[(2-ethylpyrazol-3-yl)methyl]-2-(1,2,4-oxadiazol-3-yl)ethanamine
CID 106396816
3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanamide
CID 106400586

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The IUPAC name of N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine (CID 106401056) is N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine.
What is the SMILES notation for N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The canonical SMILES for N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine is CCOCCNCCc1ncon1.
What is the InChIKey of N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
The InChIKey is IRPYZYFRRODGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-12-6-5-9-4-3-8-10-7-13-11-8/h7,9H,2-6H2,1H3.
What are the key properties of N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine?
N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine has a molecular weight of 185.23 g/mol, XLogP of 0.24, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2-(1,2,4-oxadiazol-3-yl)ethanamine is sourced from PubChem (CID 106401056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).