ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine

C15H19N5O — CID 142606147

IUPACethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC.NC(Cc1cnc[nH]1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C13H13N5O.C2H6/c14-11(6-10-7-15-8-16-10)13-17-12(18-19-13)9-4-2-1-3-5-9;1-2/h1-5,7-8,11H,6,14H2,(H,15,16);1-2H3
InChIKeyWNYOIAAJIIOXHG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.73
Rot. Bonds4

About ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine

ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 142606147) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Nameethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID142606147
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Nameethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
SMILESCC.NC(Cc1cnc[nH]1)c1nc(-c2ccccc2)no1
InChIInChI=1S/C13H13N5O.C2H6/c14-11(6-10-7-15-8-16-10)13-17-12(18-19-13)9-4-2-1-3-5-9;1-2/h1-5,7-8,11H,6,14H2,(H,15,16);1-2H3
InChIKeyWNYOIAAJIIOXHG-UHFFFAOYSA-N
XLogP2.73
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-2-(1H-imidazol-5-yl)-1-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29273811
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 43627406
(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-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 29282542
(1R)-2-(1H-imidazol-5-yl)-1-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894573
(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-(4-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104982353
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-(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
(1R)-1-[3-(5-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894651

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine (CID 142606147) is ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine is CC.NC(Cc1cnc[nH]1)c1nc(-c2ccccc2)no1.
What is the InChIKey of ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is WNYOIAAJIIOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O.C2H6/c14-11(6-10-7-15-8-16-10)13-17-12(18-19-13)9-4-2-1-3-5-9;1-2/h1-5,7-8,11H,6,14H2,(H,15,16);1-2H3.
What are the key properties of ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine?
ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 285.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 142606147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).