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

C8H15N3O3 — CID 106814810

IUPAC2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCOCCc1noc(C(O)CN)n1
InChIInChI=1S/C8H15N3O3/c1-2-13-4-3-7-10-8(14-11-7)6(12)5-9/h6,12H,2-5,9H2,1H3
InChIKeyYTHJSMLOFKFNFT-UHFFFAOYSA-N
MW201.23 g/mol
LogP-0.36
Rot. Bonds6

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

2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol (PubChem CID 106814810) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
PubChem CID106814810
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Name2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
SMILESCCOCCc1noc(C(O)CN)n1
InChIInChI=1S/C8H15N3O3/c1-2-13-4-3-7-10-8(14-11-7)6(12)5-9/h6,12H,2-5,9H2,1H3
InChIKeyYTHJSMLOFKFNFT-UHFFFAOYSA-N
XLogP-0.36
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814728
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-1-amine
CID 106814760
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
CID 107473689
(1R)-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 106814666
cyclopropyl-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 106814551
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 106814787
5-[1-(azetidin-3-yl)ethyl]-3-(2-ethoxyethyl)-1,2,4-oxadiazole
CID 106814662
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
ethyl 2-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propanoate
CID 102926997
1-cyclopropyl-2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106815685
5-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-ethylpentan-1-amine
CID 106814497
(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837369

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The IUPAC name of 2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol (CID 106814810) is 2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol.
What is the SMILES notation for 2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The canonical SMILES for 2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol is CCOCCc1noc(C(O)CN)n1.
What is the InChIKey of 2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
The InChIKey is YTHJSMLOFKFNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-2-13-4-3-7-10-8(14-11-7)6(12)5-9/h6,12H,2-5,9H2,1H3.
What are the key properties of 2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol?
2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol has a molecular weight of 201.23 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol is sourced from PubChem (CID 106814810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).