4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol

C10H18N2O3 — CID 106815759

IUPAC4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCCOCCc1noc(CCCCO)n1
InChIInChI=1S/C10H18N2O3/c1-2-14-8-6-9-11-10(15-12-9)5-3-4-7-13/h13H,2-8H2,1H3
InChIKeyYOGFDXFZSUZIRU-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.96
Rot. Bonds8

About 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol

4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol (PubChem CID 106815759) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol.

Molecular Properties

Compound Name4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
PubChem CID106815759
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol
SMILESCCOCCc1noc(CCCCO)n1
InChIInChI=1S/C10H18N2O3/c1-2-14-8-6-9-11-10(15-12-9)5-3-4-7-13/h13H,2-8H2,1H3
InChIKeyYOGFDXFZSUZIRU-UHFFFAOYSA-N
XLogP0.96
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[5-(2-ethoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660353
2-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106814794
4-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-ol
CID 79191511
N-[3-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propyl]aniline
CID 106814680
2-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-ethylbutanoic acid
CID 106814863
[5-(2-propoxyethyl)-1,2,4-oxadiazol-3-yl]methanol
CID 102660354
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
1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-amine
CID 106814715
2-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 115076899
N-[[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 106814599
3-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 79964447

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The IUPAC name of 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol (CID 106815759) is 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol.
What is the SMILES notation for 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The canonical SMILES for 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol is CCOCCc1noc(CCCCO)n1.
What is the InChIKey of 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
The InChIKey is YOGFDXFZSUZIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-2-14-8-6-9-11-10(15-12-9)5-3-4-7-13/h13H,2-8H2,1H3.
What are the key properties of 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol?
4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol has a molecular weight of 214.26 g/mol, XLogP of 0.96, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]butan-1-ol is sourced from PubChem (CID 106815759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).