(2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol

C9H17N3O3 — CID 104915981

IUPAC(2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCOC(C)(C)c1noc([C@@H](N)CO)n1
InChIInChI=1S/C9H17N3O3/c1-4-14-9(2,3)8-11-7(15-12-8)6(10)5-13/h6,13H,4-5,10H2,1-3H3/t6-/m0/s1
InChIKeySGXAANNATCXJHZ-LURJTMIESA-N
MW215.25 g/mol
LogP0.33
Rot. Bonds5

About (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol

(2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 104915981) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID104915981
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Name(2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCOC(C)(C)c1noc([C@@H](N)CO)n1
InChIInChI=1S/C9H17N3O3/c1-4-14-9(2,3)8-11-7(15-12-8)6(10)5-13/h6,13H,4-5,10H2,1-3H3/t6-/m0/s1
InChIKeySGXAANNATCXJHZ-LURJTMIESA-N
XLogP0.33
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol 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)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894834
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116704581
4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527156
2-amino-2-[3-(2-phenylpropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63084824
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116704420
ethyl 5-[(1S)-1-amino-2-hydroxyethyl]-1,2,4-oxadiazole-3-carboxylate
CID 104915929
1-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methoxybutan-1-amine
CID 116740750
1-cyclopropyl-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 116732991
4-[(2R)-2-amino-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905754
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733624
2-methoxy-1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116740372
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine
CID 43099581

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol (CID 104915981) is (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is CCOC(C)(C)c1noc([C@@H](N)CO)n1.
What is the InChIKey of (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is SGXAANNATCXJHZ-LURJTMIESA-N. The full InChI is InChI=1S/C9H17N3O3/c1-4-14-9(2,3)8-11-7(15-12-8)6(10)5-13/h6,13H,4-5,10H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol?
(2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 215.25 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 104915981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).