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

C14H16N2O4 — CID 60721889

IUPAC4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCCCc1noc(COc2cc(C=O)ccc2OC)n1
InChIInChI=1S/C14H16N2O4/c1-3-4-13-15-14(20-16-13)9-19-12-7-10(8-17)5-6-11(12)18-2/h5-8H,3-4,9H2,1-2H3
InChIKeyATAWWXZNXVKKKT-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.42
Rot. Bonds7

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

4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (PubChem CID 60721889) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
PubChem CID60721889
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
SMILESCCCc1noc(COc2cc(C=O)ccc2OC)n1
InChIInChI=1S/C14H16N2O4/c1-3-4-13-15-14(20-16-13)9-19-12-7-10(8-17)5-6-11(12)18-2/h5-8H,3-4,9H2,1-2H3
InChIKeyATAWWXZNXVKKKT-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

3-bromo-5-methoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 61495152
3-ethoxy-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 28782509
3,5-dibromo-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 107738411
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-4-nitrobenzaldehyde
CID 62116418
4-methoxy-3-[(5-propyl-1,2,4-oxadiazol-3-yl)methoxy]benzoic acid
CID 61495281
(1R)-1-[3-methoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanol
CID 63364675
5-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-2-carbaldehyde
CID 79794232
2-chloro-6-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 61495181
3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029294
3-ethoxy-4-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzonitrile
CID 60722210
4-[[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-3-ethoxybenzaldehyde
CID 30029315
3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-nitrobenzaldehyde
CID 62115532

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The IUPAC name of 4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde (CID 60721889) is 4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde.
What is the SMILES notation for 4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The canonical SMILES for 4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is CCCc1noc(COc2cc(C=O)ccc2OC)n1.
What is the InChIKey of 4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
The InChIKey is ATAWWXZNXVKKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-3-4-13-15-14(20-16-13)9-19-12-7-10(8-17)5-6-11(12)18-2/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde?
4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-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 4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde is sourced from PubChem (CID 60721889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).