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

C14H19N3O3 — CID 106399915

IUPACN-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCOc1ccccc1OCCNCCc1ncno1
InChIInChI=1S/C14H19N3O3/c1-2-18-12-5-3-4-6-13(12)19-10-9-15-8-7-14-16-11-17-20-14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyYEFSTRJTACHMRR-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.68
Rot. Bonds9

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

N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 106399915) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID106399915
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESCCOc1ccccc1OCCNCCc1ncno1
InChIInChI=1S/C14H19N3O3/c1-2-18-12-5-3-4-6-13(12)19-10-9-15-8-7-14-16-11-17-20-14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyYEFSTRJTACHMRR-UHFFFAOYSA-N
XLogP1.68
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-ethoxyphenoxy)ethyl]pentan-1-amine
CID 62572725
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-2-ylethanamine
CID 106400344
4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399897
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1-methylpyrazol-3-yl)ethanamine
CID 106104724
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-1-amine
CID 62454697
N-[2-(2-ethoxyphenoxy)ethyl]pent-3-yn-1-amine
CID 116643905
N-[2-(2-ethoxyphenoxy)ethyl]-6-iodohexan-1-amine
CID 107844838
2-[2-(2-ethoxyphenoxy)ethyl]-1,1-dimethylhydrazine
CID 83015100
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
2-(2-aminophenoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 106392325
2-[[2-(2-ethoxyphenoxy)ethylamino]methyl]phenol
CID 114332030
N-[2-[2-(2-ethoxyphenoxy)ethoxy]ethyl]-2-methoxyethanamine
CID 2280426

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine (CID 106399915) is N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is CCOc1ccccc1OCCNCCc1ncno1.
What is the InChIKey of N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is YEFSTRJTACHMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-18-12-5-3-4-6-13(12)19-10-9-15-8-7-14-16-11-17-20-14/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine?
N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 277.32 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethoxyphenoxy)ethyl]-2-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 106399915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).