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

C18H16N2O3 — CID 2994581

IUPAC3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C=Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C18H16N2O3/c1-21-15-10-9-14(12-16(15)22-2)18-19-17(23-20-18)11-8-13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyMUGATQOZXXPLBU-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.92
Rot. Bonds5

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

3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole (PubChem CID 2994581) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
PubChem CID2994581
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Name3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(C=Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C18H16N2O3/c1-21-15-10-9-14(12-16(15)22-2)18-19-17(23-20-18)11-8-13-6-4-3-5-7-13/h3-12H,1-2H3
InChIKeyMUGATQOZXXPLBU-UHFFFAOYSA-N
XLogP3.92
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3,4-dimethoxyphenyl)-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 8895210
4-[5-[(E)-2-phenylethenyl]-1,2,4-oxadiazol-3-yl]aniline
CID 133064436
5-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-2-methyl-1,3-benzoxazole
CID 71842801
3-[3-(2-methylpyrazol-3-yl)phenyl]-5-(2-phenylethenyl)-1,2,4-oxadiazole
CID 71842832
6-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-ethyl-1,3-benzoxazol-2-one
CID 71842821
3-(1-cyclopentylbenzotriazol-5-yl)-5-[(E)-2-phenylethenyl]-1,2,4-oxadiazole
CID 53009475
3-[(3,4-dimethoxyphenyl)methyl]-5-[2-(4-methylphenyl)ethenyl]-1,2,4-oxadiazole
CID 15995429
5-(3,4-dimethoxyphenyl)-3-[3-methoxy-4-(1-phenylethoxy)phenyl]-1,2,4-oxadiazole
CID 46044246
5-[(E)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethenyl]pyridin-3-ol
CID 75453240
6-[5-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-3-methyl-1-propylquinoxalin-2-one
CID 53065252
1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 52994442
6-[5-[(E)-2-(2-methoxyphenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-1,3-dimethylquinoxalin-2-one
CID 53065152

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole (CID 2994581) is 3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(C=Cc3ccccc3)n2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole?
The InChIKey is MUGATQOZXXPLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-21-15-10-9-14(12-16(15)22-2)18-19-17(23-20-18)11-8-13-6-4-3-5-7-13/h3-12H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole?
3-(3,4-dimethoxyphenyl)-5-(2-phenylethenyl)-1,2,4-oxadiazole has a molecular weight of 308.34 g/mol, XLogP of 3.92, 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-phenylethenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2994581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).