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

C12H19N5O2 — CID 104894834

IUPAC(1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCOC(C)(C)c1noc([C@H](N)Cc2cnc[nH]2)n1
InChIInChI=1S/C12H19N5O2/c1-4-18-12(2,3)11-16-10(19-17-11)9(13)5-8-6-14-7-15-8/h6-7,9H,4-5,13H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyUVLXCJHPIOHXIT-SECBINFHSA-N
MW265.32 g/mol
LogP1.31
Rot. Bonds6

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

(1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (PubChem CID 104894834) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is (1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
PubChem CID104894834
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name(1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
SMILESCCOC(C)(C)c1noc([C@H](N)Cc2cnc[nH]2)n1
InChIInChI=1S/C12H19N5O2/c1-4-18-12(2,3)11-16-10(19-17-11)9(13)5-8-6-14-7-15-8/h6-7,9H,4-5,13H2,1-3H3,(H,14,15)/t9-/m1/s1
InChIKeyUVLXCJHPIOHXIT-SECBINFHSA-N
XLogP1.31
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-2-(1H-imidazol-5-yl)-1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894707
(1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894655
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894817
(2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915981
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568
2-(1H-imidazol-5-yl)-1-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79954868
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894821
5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791374
(1S)-1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29050320
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
(1R)-1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894667
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 43627406

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The IUPAC name of (1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine (CID 104894834) is (1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine.
What is the SMILES notation for (1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The canonical SMILES for (1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is CCOC(C)(C)c1noc([C@H](N)Cc2cnc[nH]2)n1.
What is the InChIKey of (1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
The InChIKey is UVLXCJHPIOHXIT-SECBINFHSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-4-18-12(2,3)11-16-10(19-17-11)9(13)5-8-6-14-7-15-8/h6-7,9H,4-5,13H2,1-3H3,(H,14,15)/t9-/m1/s1.
What are the key properties of (1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine?
(1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine has a molecular weight of 265.32 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine is sourced from PubChem (CID 104894834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).