3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole

C19H20N2O5 — CID 9353480

IUPAC3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCCOc1ccccc1OCc1nc(-c2ccc(OC)cc2OC)no1
InChIInChI=1S/C19H20N2O5/c1-4-24-15-7-5-6-8-16(15)25-12-18-20-19(21-26-18)14-10-9-13(22-2)11-17(14)23-3/h5-11H,4,12H2,1-3H3
InChIKeyOUKUEAKJGXPRTP-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.73
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole

3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 9353480) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
PubChem CID9353480
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole
SMILESCCOc1ccccc1OCc1nc(-c2ccc(OC)cc2OC)no1
InChIInChI=1S/C19H20N2O5/c1-4-24-15-7-5-6-8-16(15)25-12-18-20-19(21-26-18)14-10-9-13(22-2)11-17(14)23-3/h5-11H,4,12H2,1-3H3
InChIKeyOUKUEAKJGXPRTP-UHFFFAOYSA-N
XLogP3.73
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
3-(2,4-dimethoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 9355901
3-(2,4-dimethoxyphenyl)-5-[(2-methoxy-4-prop-2-enylphenoxy)methyl]-1,2,4-oxadiazole
CID 9355323
5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9354278
5-bromo-2-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 16595328
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 51202784
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-ethylaniline
CID 51202915
[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chlorobenzoate
CID 9412608
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylpropan-1-amine
CID 78822364
N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-2-methylaniline
CID 78820649
5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9353996
[3-(2-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 16596084

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole (CID 9353480) is 3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole is CCOc1ccccc1OCc1nc(-c2ccc(OC)cc2OC)no1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is OUKUEAKJGXPRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-4-24-15-7-5-6-8-16(15)25-12-18-20-19(21-26-18)14-10-9-13(22-2)11-17(14)23-3/h5-11H,4,12H2,1-3H3.
What are the key properties of 3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole?
3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 356.38 g/mol, XLogP of 3.73, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-5-[(2-ethoxyphenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 9353480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).