3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde

C11H10N2O4 — CID 28782536

IUPAC3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ncon1
InChIInChI=1S/C11H10N2O4/c1-15-10-4-8(5-14)2-3-9(10)16-6-11-12-7-17-13-11/h2-5,7H,6H2,1H3
InChIKeyACRFNUVLJSSYOZ-UHFFFAOYSA-N
MW234.21 g/mol
LogP1.47
Rot. Bonds5

About 3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde

3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde (PubChem CID 28782536) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde
PubChem CID28782536
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1ncon1
InChIInChI=1S/C11H10N2O4/c1-15-10-4-8(5-14)2-3-9(10)16-6-11-12-7-17-13-11/h2-5,7H,6H2,1H3
InChIKeyACRFNUVLJSSYOZ-UHFFFAOYSA-N
XLogP1.47
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.47
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-methoxy-4-phenylmethoxybenzaldehyde
CID 161042191
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
4-[(Z)-4-(4-formyl-2-methoxyphenoxy)but-2-enoxy]-3-methoxybenzaldehyde
CID 53375790
3-methoxy-4-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 71670258
4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde
CID 12967874
4-[[4-(hydroxymethyl)phenyl]methoxy]-3-methoxybenzaldehyde
CID 115969367
4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]-3-methoxybenzaldehyde
CID 30834017
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735
4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 60721889
3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzaldehyde
CID 2446566
4-(4-formyl-2-methoxyphenoxy)phosphanyloxy-3-methoxybenzaldehyde
CID 58610952

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde?
The IUPAC name of 3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde (CID 28782536) is 3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde.
What is the SMILES notation for 3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde?
The canonical SMILES for 3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde is COc1cc(C=O)ccc1OCc1ncon1.
What is the InChIKey of 3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde?
The InChIKey is ACRFNUVLJSSYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-15-10-4-8(5-14)2-3-9(10)16-6-11-12-7-17-13-11/h2-5,7H,6H2,1H3.
What are the key properties of 3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde?
3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde has a molecular weight of 234.21 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)benzaldehyde is sourced from PubChem (CID 28782536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).