2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine

C15H21N3O3 — CID 102926840

IUPAC2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCOCCOCCc1noc(-c2cccc(CCN)c2)n1
InChIInChI=1S/C15H21N3O3/c1-19-9-10-20-8-6-14-17-15(21-18-14)13-4-2-3-12(11-13)5-7-16/h2-4,11H,5-10,16H2,1H3
InChIKeyBYRLJCJGQCAZSH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.44
Rot. Bonds9

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

2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (PubChem CID 102926840) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
PubChem CID102926840
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCOCCOCCc1noc(-c2cccc(CCN)c2)n1
InChIInChI=1S/C15H21N3O3/c1-19-9-10-20-8-6-14-17-15(21-18-14)13-4-2-3-12(11-13)5-7-16/h2-4,11H,5-10,16H2,1H3
InChIKeyBYRLJCJGQCAZSH-UHFFFAOYSA-N
XLogP1.44
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.44
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

2-fluoro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 102926835
2-[3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63892975
2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926665
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 107707049
2-chloro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenol
CID 136780931
2-[3-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65136833
2-[4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 106814604
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 102926540
2-[3-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 63793713
2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 55237242
2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 63793365
2-[5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-yl]-N,N-dimethylethanamine
CID 115345482

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The IUPAC name of 2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (CID 102926840) is 2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The canonical SMILES for 2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is COCCOCCc1noc(-c2cccc(CCN)c2)n1.
What is the InChIKey of 2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The InChIKey is BYRLJCJGQCAZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-19-9-10-20-8-6-14-17-15(21-18-14)13-4-2-3-12(11-13)5-7-16/h2-4,11H,5-10,16H2,1H3.
What are the key properties of 2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine has a molecular weight of 291.35 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 102926840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).