3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde

C14H16N2O4 — CID 43366478

IUPAC3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
SMILESCCOc1cccc(C=O)c1OCc1nnc(CC)o1
InChIInChI=1S/C14H16N2O4/c1-3-12-15-16-13(20-12)9-19-14-10(8-17)6-5-7-11(14)18-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyJAUUHQSJDACUDA-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.42
Rot. Bonds7

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

3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde (PubChem CID 43366478) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
PubChem CID43366478
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
SMILESCCOc1cccc(C=O)c1OCc1nnc(CC)o1
InChIInChI=1S/C14H16N2O4/c1-3-12-15-16-13(20-12)9-19-14-10(8-17)6-5-7-11(14)18-4-2/h5-8H,3-4,9H2,1-2H3
InChIKeyJAUUHQSJDACUDA-UHFFFAOYSA-N
XLogP2.42
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.42
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-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-fluorobenzaldehyde
CID 112611835
3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde
CID 43174566
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
3-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611134
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalene-1-carbaldehyde
CID 43417349
3-fluoro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 112611794
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
3-ethoxy-2-[(3-ethylimidazol-4-yl)methoxy]benzaldehyde
CID 66154715
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde (CID 43366478) is 3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde is CCOc1cccc(C=O)c1OCc1nnc(CC)o1.
What is the InChIKey of 3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
The InChIKey is JAUUHQSJDACUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-12-15-16-13(20-12)9-19-14-10(8-17)6-5-7-11(14)18-4-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde?
3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde has a molecular weight of 276.29 g/mol, XLogP of 2.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 43366478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).