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

C18H16N2O4 — CID 38833285

IUPAC3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H16N2O4/c1-12-3-6-14(7-4-12)18-20-19-17(24-18)11-23-15-8-5-13(10-21)9-16(15)22-2/h3-10H,11H2,1-2H3
InChIKeyUHCVABBTHXYACG-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.45
Rot. Bonds6

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

3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde (PubChem CID 38833285) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
PubChem CID38833285
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde
SMILESCOc1cc(C=O)ccc1OCc1nnc(-c2ccc(C)cc2)o1
InChIInChI=1S/C18H16N2O4/c1-12-3-6-14(7-4-12)18-20-19-17(24-18)11-23-15-8-5-13(10-21)9-16(15)22-2/h3-10H,11H2,1-2H3
InChIKeyUHCVABBTHXYACG-UHFFFAOYSA-N
XLogP3.45
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.45
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

(E)-1-(4-hydroxyphenyl)-3-[3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]prop-2-en-1-one
CID 50905807
2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
3-methoxy-4-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]benzaldehyde
CID 141069615
2-[(2,6-dimethoxy-4-methylphenoxy)methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 24607341
4-[[3-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]methoxy]-3-methoxybenzaldehyde
CID 12967874
2-(3,4-dimethoxyphenyl)-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 17384873
2-(4-chlorophenyl)-5-[(2,6-dimethoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 7695649
5-[(2-methoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole-2-carboxylic acid
CID 39363718
carbanide;3,4-dimethoxybenzaldehyde;1,2-dimethoxy-4-methylbenzene;palladium
CID 158784293
(E)-1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]methanimine
CID 16605634
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
2-(3,4-dimethoxyphenyl)-5-[(3-methoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110655896

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde?
The IUPAC name of 3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde (CID 38833285) is 3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde is COc1cc(C=O)ccc1OCc1nnc(-c2ccc(C)cc2)o1.
What is the InChIKey of 3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde?
The InChIKey is UHCVABBTHXYACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12-3-6-14(7-4-12)18-20-19-17(24-18)11-23-15-8-5-13(10-21)9-16(15)22-2/h3-10H,11H2,1-2H3.
What are the key properties of 3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde?
3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde has a molecular weight of 324.34 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 38833285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).