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

C22H18N2O3 — CID 1307393

IUPAC3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1OC
InChIInChI=1S/C22H18N2O3/c1-25-19-13-12-16(14-20(19)26-2)21-23-22(27-24-21)18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-14H,1-2H3
InChIKeySPRVJFPGPQHQQX-UHFFFAOYSA-N
MW358.40 g/mol
LogP5.09
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole (PubChem CID 1307393) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole
PubChem CID1307393
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1OC
InChIInChI=1S/C22H18N2O3/c1-25-19-13-12-16(14-20(19)26-2)21-23-22(27-24-21)18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-14H,1-2H3
InChIKeySPRVJFPGPQHQQX-UHFFFAOYSA-N
XLogP5.09
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.40
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[5-[3-(Methoxymethyl)-4-(2-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenoxy]acetic acid
CID 59495631
5-(3-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 619837
5-(1,3-Benzodioxol-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 893001
3-(3,4-Dimethoxybenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 645424
3-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 877438
3-(4-Chlorobenzyl)-5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole
CID 883674
3-(2-Methoxyphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2234387
5-(3,4-Diethoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 3156036
5-(4-Methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
5-(1,3-Benzodioxol-5-yl)-3-phenyl-1,2,4-oxadiazole
CID 6458298
5-(2,2'-Dimethylbiphenyl-4-YL)-3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazole
CID 25256388
5-(4-Methoxyphenyl)-3-phenyl-1,2,4-oxadiazole
CID 583994

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole (CID 1307393) is 3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
The InChIKey is SPRVJFPGPQHQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c1-25-19-13-12-16(14-20(19)26-2)21-23-22(27-24-21)18-11-7-6-10-17(18)15-8-4-3-5-9-15/h3-14H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole has a molecular weight of 358.40 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-5-(2-phenylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1307393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).