3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole

C13H16N2O4 — CID 2981021

IUPAC3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(COC)n2)cc1OC
InChIInChI=1S/C13H16N2O4/c1-4-18-10-6-5-9(7-11(10)17-3)13-14-12(8-16-2)19-15-13/h5-7H,4,8H2,1-3H3
InChIKeyCCKCKNOVZGVHBQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.29
Rot. Bonds6

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

3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole (PubChem CID 2981021) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
PubChem CID2981021
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2noc(COC)n2)cc1OC
InChIInChI=1S/C13H16N2O4/c1-4-18-10-6-5-9(7-11(10)17-3)13-14-12(8-16-2)19-15-13/h5-7H,4,8H2,1-3H3
InChIKeyCCKCKNOVZGVHBQ-UHFFFAOYSA-N
XLogP2.29
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole (CID 2981021) is 3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole is CCOc1ccc(-c2noc(COC)n2)cc1OC.
What is the InChIKey of 3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
The InChIKey is CCKCKNOVZGVHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-18-10-6-5-9(7-11(10)17-3)13-14-12(8-16-2)19-15-13/h5-7H,4,8H2,1-3H3.
What are the key properties of 3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole?
3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole has a molecular weight of 264.28 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxy-3-methoxyphenyl)-5-(methoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2981021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).