4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline

C15H19N3O3 — CID 102926956

IUPAC4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline
SMILESCOCCOCCc1noc(/C=C/c2ccc(N)cc2)n1
InChIInChI=1S/C15H19N3O3/c1-19-10-11-20-9-8-14-17-15(21-18-14)7-4-12-2-5-13(16)6-3-12/h2-7H,8-11,16H2,1H3/b7-4+
InChIKeyJTNJMQIGRGPMBQ-QPJJXVBHSA-N
MW289.34 g/mol
LogP2.03
Rot. Bonds8

About 4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline

4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline (PubChem CID 102926956) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline.

Molecular Properties

Compound Name4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline
PubChem CID102926956
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline
SMILESCOCCOCCc1noc(/C=C/c2ccc(N)cc2)n1
InChIInChI=1S/C15H19N3O3/c1-19-10-11-20-9-8-14-17-15(21-18-14)7-4-12-2-5-13(16)6-3-12/h2-7H,8-11,16H2,1H3/b7-4+
InChIKeyJTNJMQIGRGPMBQ-QPJJXVBHSA-N
XLogP2.03
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(4-aminophenyl)ethenyl]-1,2,4-oxadiazole-3-carboxamide
CID 102790396
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 102926540
(1S)-1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 102926963
2-fluoro-4-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]aniline
CID 102926835
2-[2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926665
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 102926823
3-[(E)-2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethenyl]aniline
CID 115340174
2-[3-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 102926840
3-[2-[2-(methoxymethyl)benzimidazol-1-yl]ethyl]-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
CID 27369609
4-[(E)-2-[4-[2-[2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]ethoxy]ethoxy]phenyl]ethenyl]aniline
CID 154936794
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 102926580
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 102926611

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The IUPAC name of 4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline (CID 102926956) is 4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline.
What is the SMILES notation for 4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The canonical SMILES for 4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline is COCCOCCc1noc(/C=C/c2ccc(N)cc2)n1.
What is the InChIKey of 4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
The InChIKey is JTNJMQIGRGPMBQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-19-10-11-20-9-8-14-17-15(21-18-14)7-4-12-2-5-13(16)6-3-12/h2-7H,8-11,16H2,1H3/b7-4+.
What are the key properties of 4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline?
4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline has a molecular weight of 289.34 g/mol, XLogP of 2.03, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]ethenyl]aniline is sourced from PubChem (CID 102926956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).