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

C11H12N2O4 — CID 765546

IUPAC2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnco2)cc(OC)c1OC
InChIInChI=1S/C11H12N2O4/c1-14-8-4-7(11-13-12-6-17-11)5-9(15-2)10(8)16-3/h4-6H,1-3H3
InChIKeyGUSYHPMVEXGYSB-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.76
Rot. Bonds4

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

2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 765546) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
PubChem CID765546
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
SMILESCOc1cc(-c2nnco2)cc(OC)c1OC
InChIInChI=1S/C11H12N2O4/c1-14-8-4-7(11-13-12-6-17-11)5-9(15-2)10(8)16-3/h4-6H,1-3H3
InChIKeyGUSYHPMVEXGYSB-UHFFFAOYSA-N
XLogP1.76
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole (CID 765546) is 2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is COc1cc(-c2nnco2)cc(OC)c1OC.
What is the InChIKey of 2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is GUSYHPMVEXGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-14-8-4-7(11-13-12-6-17-11)5-9(15-2)10(8)16-3/h4-6H,1-3H3.
What are the key properties of 2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole?
2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 236.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 765546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).