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

C15H21N3O3 — CID 102926665

IUPAC2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCOCCOCCc1noc(-c2ccccc2CCN)n1
InChIInChI=1S/C15H21N3O3/c1-19-10-11-20-9-7-14-17-15(21-18-14)13-5-3-2-4-12(13)6-8-16/h2-5H,6-11,16H2,1H3
InChIKeyKJUVOWTZEVNINH-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.44
Rot. Bonds9

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

2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (PubChem CID 102926665) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
PubChem CID102926665
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
SMILESCOCCOCCc1noc(-c2ccccc2CCN)n1
InChIInChI=1S/C15H21N3O3/c1-19-10-11-20-9-7-14-17-15(21-18-14)13-5-3-2-4-12(13)6-8-16/h2-5H,6-11,16H2,1H3
InChIKeyKJUVOWTZEVNINH-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-[2-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 115345494
2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926840
2-[2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 65133289
2-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 82007721
4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-3-methylphenol
CID 136751338
2-fluoro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 102926835
5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791190
2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phenyl]ethanamine
CID 104566562
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylaniline
CID 55151915
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 102926540
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
3-fluoro-4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 114002284

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The IUPAC name of 2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine (CID 102926665) is 2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine.
What is the SMILES notation for 2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The canonical SMILES for 2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is COCCOCCc1noc(-c2ccccc2CCN)n1.
What is the InChIKey of 2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
The InChIKey is KJUVOWTZEVNINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-19-10-11-20-9-7-14-17-15(21-18-14)13-5-3-2-4-12(13)6-8-16/h2-5H,6-11,16H2,1H3.
What are the key properties of 2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine?
2-[2-[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-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine is sourced from PubChem (CID 102926665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).