1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine

C15H17N5O — CID 43627406

IUPAC1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCc1ccc(-c2noc(C(N)Cc3cnc[nH]3)n2)cc1
InChIInChI=1S/C15H17N5O/c1-2-10-3-5-11(6-4-10)14-19-15(21-20-14)13(16)7-12-8-17-9-18-12/h3-6,8-9,13H,2,7,16H2,1H3,(H,17,18)
InChIKeyHMXNKCXCFPUENY-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.26
Rot. Bonds5

About 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine

1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 43627406) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID43627406
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCc1ccc(-c2noc(C(N)Cc3cnc[nH]3)n2)cc1
InChIInChI=1S/C15H17N5O/c1-2-10-3-5-11(6-4-10)14-19-15(21-20-14)13(16)7-12-8-17-9-18-12/h3-6,8-9,13H,2,7,16H2,1H3,(H,17,18)
InChIKeyHMXNKCXCFPUENY-UHFFFAOYSA-N
XLogP2.26
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 142606147
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29273811
(1S)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29038509
(1R)-1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29038512
(1R)-2-(1H-imidazol-5-yl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894573
4-[5-[1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-fluorophenol
CID 136810172
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568
(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104982353
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894738
(1R)-2-(1H-imidazol-5-yl)-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29282542
(1S)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894644
(1R)-2-(1H-imidazol-5-yl)-1-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894645

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (CID 43627406) is 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is CCc1ccc(-c2noc(C(N)Cc3cnc[nH]3)n2)cc1.
What is the InChIKey of 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is HMXNKCXCFPUENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-2-10-3-5-11(6-4-10)14-19-15(21-20-14)13(16)7-12-8-17-9-18-12/h3-6,8-9,13H,2,7,16H2,1H3,(H,17,18).
What are the key properties of 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 283.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 43627406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).