5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

C17H16N2O4 — CID 666381

IUPAC5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3ccccc3OC)no2)c1
InChIInChI=1S/C17H16N2O4/c1-20-12-8-11(9-13(10-12)21-2)17-18-16(19-23-17)14-6-4-5-7-15(14)22-3/h4-10H,1-3H3
InChIKeyXEQABDMFHRFHNU-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.43
Rot. Bonds5

About 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole

5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 666381) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID666381
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1cc(OC)cc(-c2nc(-c3ccccc3OC)no2)c1
InChIInChI=1S/C17H16N2O4/c1-20-12-8-11(9-13(10-12)21-2)17-18-16(19-23-17)14-6-4-5-7-15(14)22-3/h4-10H,1-3H3
InChIKeyXEQABDMFHRFHNU-UHFFFAOYSA-N
XLogP3.43
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Irampanel
CID 3038472
[2-[3-[(E)-2-(4-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-5-yl]phenyl] acetate
CID 8034425
5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
5-(2,4-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 893238
3,5-dimethoxy-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 1252416
N-isopropyl-3,5-dimethoxy-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
CID 2223954
5-(3,5-Dimethoxyphenyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
CID 4916161
N-ethyl-2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzamide
CID 5213518
3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 645424
5-(3,5-Dimethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 868065
3-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 877438
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole (CID 666381) is 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is COc1cc(OC)cc(-c2nc(-c3ccccc3OC)no2)c1.
What is the InChIKey of 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is XEQABDMFHRFHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-20-12-8-11(9-13(10-12)21-2)17-18-16(19-23-17)14-6-4-5-7-15(14)22-3/h4-10H,1-3H3.
What are the key properties of 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole?
5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 312.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 666381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).