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

C13H14N2O4 — CID 28782509

IUPAC3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1nc(C)no1
InChIInChI=1S/C13H14N2O4/c1-3-17-12-6-10(7-16)4-5-11(12)18-8-13-14-9(2)15-19-13/h4-7H,3,8H2,1-2H3
InChIKeyWUYVCMWTZFEGOK-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.17
Rot. Bonds6

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

3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (PubChem CID 28782509) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
PubChem CID28782509
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1nc(C)no1
InChIInChI=1S/C13H14N2O4/c1-3-17-12-6-10(7-16)4-5-11(12)18-8-13-14-9(2)15-19-13/h4-7H,3,8H2,1-2H3
InChIKeyWUYVCMWTZFEGOK-UHFFFAOYSA-N
XLogP2.17
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.17
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

3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029294
4-[[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-ethoxybenzaldehyde
CID 30029315
3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 47145059
4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 60721889
3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde
CID 55134135
3-ethoxy-4-(2-trimethylsilylethoxymethoxy)benzaldehyde
CID 166173195
3-ethoxy-4-[(4-iodophenyl)methoxy]benzaldehyde
CID 43826418
2-(2-ethoxy-4-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8009527
3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
CID 2219731
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-nitrobenzaldehyde
CID 62116418
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
(1R)-1-[5-methyl-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 55188812

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (CID 28782509) is 3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is CCOc1cc(C=O)ccc1OCc1nc(C)no1.
What is the InChIKey of 3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The InChIKey is WUYVCMWTZFEGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-3-17-12-6-10(7-16)4-5-11(12)18-8-13-14-9(2)15-19-13/h4-7H,3,8H2,1-2H3.
What are the key properties of 3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde has a molecular weight of 262.26 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is sourced from PubChem (CID 28782509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).