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

C19H18N2O4 — CID 30029294

IUPAC3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C19H18N2O4/c1-3-23-17-10-14(11-22)6-9-16(17)24-12-18-20-19(21-25-18)15-7-4-13(2)5-8-15/h4-11H,3,12H2,1-2H3
InChIKeyXCTSZECVIKCHHE-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.84
Rot. Bonds7

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

3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde (PubChem CID 30029294) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
PubChem CID30029294
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
SMILESCCOc1cc(C=O)ccc1OCc1nc(-c2ccc(C)cc2)no1
InChIInChI=1S/C19H18N2O4/c1-3-23-17-10-14(11-22)6-9-16(17)24-12-18-20-19(21-25-18)15-7-4-13(2)5-8-15/h4-11H,3,12H2,1-2H3
InChIKeyXCTSZECVIKCHHE-UHFFFAOYSA-N
XLogP3.84
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.84
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

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]benzaldehyde
CID 28782509
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 42318158
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-ethoxy-3-methoxybenzoate
CID 16516071
4-methoxy-3-[(3-propyl-1,2,4-oxadiazol-5-yl)methoxy]benzaldehyde
CID 60721889
3-ethoxy-4-[3-(4-methylphenoxy)propoxy]benzaldehyde
CID 2219731
5-[(2,5-difluorophenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 86890089
3-ethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzaldehyde
CID 55134135
5-[(2-bromo-4-methylphenoxy)methyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 987928
5-[(2,4-dimethylphenoxy)methyl]-3-(4-nitrophenyl)-1,2,4-oxadiazole
CID 876326
3-ethoxy-4-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzonitrile
CID 55510174
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029327

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde (CID 30029294) is 3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde is CCOc1cc(C=O)ccc1OCc1nc(-c2ccc(C)cc2)no1.
What is the InChIKey of 3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
The InChIKey is XCTSZECVIKCHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-3-23-17-10-14(11-22)6-9-16(17)24-12-18-20-19(21-25-18)15-7-4-13(2)5-8-15/h4-11H,3,12H2,1-2H3.
What are the key properties of 3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde?
3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde has a molecular weight of 338.36 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde is sourced from PubChem (CID 30029294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).