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

C11H17N5O2 — CID 104894655

IUPAC(1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCOC(C)c1noc([C@H](N)Cc2cnc[nH]2)n1
InChIInChI=1S/C11H17N5O2/c1-3-17-7(2)10-15-11(18-16-10)9(12)4-8-5-13-6-14-8/h5-7,9H,3-4,12H2,1-2H3,(H,13,14)/t7?,9-/m1/s1
InChIKeyWYCXTZMDFQIEQY-NHSZFOGYSA-N
MW251.29 g/mol
LogP1.13
Rot. Bonds6

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

(1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 104894655) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is (1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID104894655
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name(1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCOC(C)c1noc([C@H](N)Cc2cnc[nH]2)n1
InChIInChI=1S/C11H17N5O2/c1-3-17-7(2)10-15-11(18-16-10)9(12)4-8-5-13-6-14-8/h5-7,9H,3-4,12H2,1-2H3,(H,13,14)/t7?,9-/m1/s1
InChIKeyWYCXTZMDFQIEQY-NHSZFOGYSA-N
XLogP1.13
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894817
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894821
(1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894834
(1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 134344750
(1R)-1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894667
(1R)-2-(1H-imidazol-5-yl)-1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894707
(1S)-1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29050320
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 43627406
1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 64539630
ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 142606147

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of (1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (CID 104894655) is (1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for (1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is CCOC(C)c1noc([C@H](N)Cc2cnc[nH]2)n1.
What is the InChIKey of (1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is WYCXTZMDFQIEQY-NHSZFOGYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-3-17-7(2)10-15-11(18-16-10)9(12)4-8-5-13-6-14-8/h5-7,9H,3-4,12H2,1-2H3,(H,13,14)/t7?,9-/m1/s1.
What are the key properties of (1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
(1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 251.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 104894655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).