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

C13H16N2O5 — CID 667096

IUPAC5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1
InChIInChI=1S/C13H16N2O5/c1-16-7-11-14-13(15-20-11)8-5-9(17-2)12(19-4)10(6-8)18-3/h5-6H,7H2,1-4H3
InChIKeyGSSYIIAJSSNCJU-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.91
Rot. Bonds6

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

5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 667096) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
PubChem CID667096
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
SMILESCOCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1
InChIInChI=1S/C13H16N2O5/c1-16-7-11-14-13(15-20-11)8-5-9(17-2)12(19-4)10(6-8)18-3/h5-6H,7H2,1-4H3
InChIKeyGSSYIIAJSSNCJU-UHFFFAOYSA-N
XLogP1.91
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole (CID 667096) is 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is COCc1nc(-c2cc(OC)c(OC)c(OC)c2)no1.
What is the InChIKey of 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is GSSYIIAJSSNCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-16-7-11-14-13(15-20-11)8-5-9(17-2)12(19-4)10(6-8)18-3/h5-6H,7H2,1-4H3.
What are the key properties of 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole?
5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 280.28 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 667096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).