2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole

C17H16N2O3 — CID 866008

IUPAC2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C17H16N2O3/c1-3-21-15-10-6-13(7-11-15)17-19-18-16(22-17)12-4-8-14(20-2)9-5-12/h4-11H,3H2,1-2H3
InChIKeyVDVBMJDUKJSXMH-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.81
Rot. Bonds5

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

2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (PubChem CID 866008) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
PubChem CID866008
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1
InChIInChI=1S/C17H16N2O3/c1-3-21-15-10-6-13(7-11-15)17-19-18-16(22-17)12-4-8-14(20-2)9-5-12/h4-11H,3H2,1-2H3
InChIKeyVDVBMJDUKJSXMH-UHFFFAOYSA-N
XLogP3.81
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole (CID 866008) is 2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is CCOc1ccc(-c2nnc(-c3ccc(OC)cc3)o2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is VDVBMJDUKJSXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-3-21-15-10-6-13(7-11-15)17-19-18-16(22-17)12-4-8-14(20-2)9-5-12/h4-11H,3H2,1-2H3.
What are the key properties of 2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole?
2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 866008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).