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

C17H16N2O3 — CID 716459

IUPAC5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1OC
InChIInChI=1S/C17H16N2O3/c1-11-5-4-6-12(9-11)16-18-17(22-19-16)13-7-8-14(20-2)15(10-13)21-3/h4-10H,1-3H3
InChIKeyUHSBAAQSHOSGQD-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.73
Rot. Bonds4

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

5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 716459) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID716459
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1OC
InChIInChI=1S/C17H16N2O3/c1-11-5-4-6-12(9-11)16-18-17(22-19-16)13-7-8-14(20-2)15(10-13)21-3/h4-10H,1-3H3
InChIKeyUHSBAAQSHOSGQD-UHFFFAOYSA-N
XLogP3.73
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 716459) is 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is COc1ccc(-c2nc(-c3cccc(C)c3)no2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is UHSBAAQSHOSGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-5-4-6-12(9-11)16-18-17(22-19-16)13-7-8-14(20-2)15(10-13)21-3/h4-10H,1-3H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 716459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).