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

C19H20N2O5 — CID 645424

IUPAC5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(-c3ccc(OC)c(OC)c3)n2)cc1OC
InChIInChI=1S/C19H20N2O5/c1-22-14-7-5-12(9-16(14)24-3)10-18-20-19(26-21-18)13-6-8-15(23-2)17(11-13)25-4/h5-9,11H,10H2,1-4H3
InChIKeyPNDZMKGAZPUNES-UHFFFAOYSA-N
MW356.38 g/mol
LogP3.36
Rot. Bonds7

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

5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole (PubChem CID 645424) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole
PubChem CID645424
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(-c3ccc(OC)c(OC)c3)n2)cc1OC
InChIInChI=1S/C19H20N2O5/c1-22-14-7-5-12(9-16(14)24-3)10-18-20-19(26-21-18)13-6-8-15(23-2)17(11-13)25-4/h5-9,11H,10H2,1-4H3
InChIKeyPNDZMKGAZPUNES-UHFFFAOYSA-N
XLogP3.36
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole (CID 645424) is 5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole is COc1ccc(Cc2noc(-c3ccc(OC)c(OC)c3)n2)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole?
The InChIKey is PNDZMKGAZPUNES-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-22-14-7-5-12(9-16(14)24-3)10-18-20-19(26-21-18)13-6-8-15(23-2)17(11-13)25-4/h5-9,11H,10H2,1-4H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole?
5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole has a molecular weight of 356.38 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-[(3,4-dimethoxyphenyl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 645424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).