5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

C13H16N2O5 — CID 107707049

IUPAC5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCOCCOCCc1noc(-c2cc(O)cc(O)c2)n1
InChIInChI=1S/C13H16N2O5/c1-18-4-5-19-3-2-12-14-13(20-15-12)9-6-10(16)8-11(17)7-9/h6-8,16-17H,2-5H2,1H3
InChIKeyQPUWIFNNCICHRG-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.35
Rot. Bonds7

About 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol

5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (PubChem CID 107707049) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
PubChem CID107707049
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
SMILESCOCCOCCc1noc(-c2cc(O)cc(O)c2)n1
InChIInChI=1S/C13H16N2O5/c1-18-4-5-19-3-2-12-14-13(20-15-12)9-6-10(16)8-11(17)7-9/h6-8,16-17H,2-5H2,1H3
InChIKeyQPUWIFNNCICHRG-UHFFFAOYSA-N
XLogP1.35
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The IUPAC name of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol (CID 107707049) is 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol.
What is the SMILES notation for 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The canonical SMILES for 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is COCCOCCc1noc(-c2cc(O)cc(O)c2)n1.
What is the InChIKey of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
The InChIKey is QPUWIFNNCICHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-18-4-5-19-3-2-12-14-13(20-15-12)9-6-10(16)8-11(17)7-9/h6-8,16-17H,2-5H2,1H3.
What are the key properties of 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol?
5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol has a molecular weight of 280.28 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]benzene-1,3-diol is sourced from PubChem (CID 107707049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).