3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol

C10H16N2O4 — CID 106474163

IUPAC3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESCOC(C)c1noc(C2COCCC2O)n1
InChIInChI=1S/C10H16N2O4/c1-6(14-2)9-11-10(16-12-9)7-5-15-4-3-8(7)13/h6-8,13H,3-5H2,1-2H3
InChIKeyDEOSFZURXKCSPT-UHFFFAOYSA-N
MW228.25 g/mol
LogP0.64
Rot. Bonds3

About 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol

3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (PubChem CID 106474163) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
PubChem CID106474163
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESCOC(C)c1noc(C2COCCC2O)n1
InChIInChI=1S/C10H16N2O4/c1-6(14-2)9-11-10(16-12-9)7-5-15-4-3-8(7)13/h6-8,13H,3-5H2,1-2H3
InChIKeyDEOSFZURXKCSPT-UHFFFAOYSA-N
XLogP0.64
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
CID 106474029
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 116732781
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474072
3-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474212
3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474214
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474127
3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474174
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 107918226
3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474173
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474196
3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474168

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The IUPAC name of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (CID 106474163) is 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The canonical SMILES for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is COC(C)c1noc(C2COCCC2O)n1.
What is the InChIKey of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The InChIKey is DEOSFZURXKCSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(14-2)9-11-10(16-12-9)7-5-15-4-3-8(7)13/h6-8,13H,3-5H2,1-2H3.
What are the key properties of 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol has a molecular weight of 228.25 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106474163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).