5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde

C11H11N3O3 — CID 79794226

IUPAC5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
SMILESCCc1nnc(COc2ccc(C=O)nc2)o1
InChIInChI=1S/C11H11N3O3/c1-2-10-13-14-11(17-10)7-16-9-4-3-8(6-15)12-5-9/h3-6H,2,7H2,1H3
InChIKeyJKTAFNRKBUFLQA-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.42
Rot. Bonds5

About 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde

5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde (PubChem CID 79794226) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
PubChem CID79794226
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde
SMILESCCc1nnc(COc2ccc(C=O)nc2)o1
InChIInChI=1S/C11H11N3O3/c1-2-10-13-14-11(17-10)7-16-9-4-3-8(6-15)12-5-9/h3-6H,2,7H2,1H3
InChIKeyJKTAFNRKBUFLQA-UHFFFAOYSA-N
XLogP1.42
TPSA78.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-5-[(6-phenyl-3-pyridinyl)oxymethyl]-1,3,4-oxadiazole
CID 75483681
5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carbaldehyde
CID 79794232
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one
CID 28782339
3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 79800146
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495234
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503683
5-[(1-methyltriazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 107043162
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
2-ethyl-5-[(1-methylpyrazol-4-yl)oxymethyl]-1,3,4-oxadiazole
CID 116794198
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417349
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611835
5-[(3-methylphenyl)methoxy]pyridine-2-carbaldehyde
CID 79794315

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde (CID 79794226) is 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde is CCc1nnc(COc2ccc(C=O)nc2)o1.
What is the InChIKey of 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde?
The InChIKey is JKTAFNRKBUFLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-2-10-13-14-11(17-10)7-16-9-4-3-8(6-15)12-5-9/h3-6H,2,7H2,1H3.
What are the key properties of 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde?
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde has a molecular weight of 233.23 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 79794226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).