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

C19H20N2O6 — CID 2059880

IUPAC2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OC
InChIInChI=1S/C19H20N2O6/c1-22-13-7-6-11(8-14(13)23-2)18-20-21-19(27-18)12-9-15(24-3)17(26-5)16(10-12)25-4/h6-10H,1-5H3
InChIKeyXSDCKVSJIPPTLU-UHFFFAOYSA-N
MW372.38 g/mol
LogP3.45
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 2059880) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID2059880
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OC
InChIInChI=1S/C19H20N2O6/c1-22-13-7-6-11(8-14(13)23-2)18-20-21-19(27-18)12-9-15(24-3)17(26-5)16(10-12)25-4/h6-10H,1-5H3
InChIKeyXSDCKVSJIPPTLU-UHFFFAOYSA-N
XLogP3.45
TPSA85.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 70052
2-(4-Methoxyphenyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 622283
2-(3-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CID 74642
2-(4-Fluorophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 729586
Ethyl 2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 330196
2-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazole
CID 765546
2-(4-Iodophenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 46227022
5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-amine
CID 356902
2-[[2-(4-Bromophenyl)-1,3-dioxolan-2-yl]methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 1800983
1-Phenyl-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 3236579
2-[[2-(3-Methoxyphenyl)-1,3-dioxolan-2-yl]methylsulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 6480450
2-(3,4-Dimethoxyphenyl)-5-(3-methoxyphenyl)-1,3,4-oxadiazole
CID 683351

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CID 2059880) is 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is COc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is XSDCKVSJIPPTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-22-13-7-6-11(8-14(13)23-2)18-20-21-19(27-18)12-9-15(24-3)17(26-5)16(10-12)25-4/h6-10H,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 372.38 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 2059880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).