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

C21H24N2O5 — CID 1084018

IUPAC3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccc(OC)cc3)no2)cc(OCC)c1OCC
InChIInChI=1S/C21H24N2O5/c1-5-25-17-12-15(13-18(26-6-2)19(17)27-7-3)21-22-20(23-28-21)14-8-10-16(24-4)11-9-14/h8-13H,5-7H2,1-4H3
InChIKeyBLQPXIARKNRUJJ-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.61
Rot. Bonds9

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

3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole (PubChem CID 1084018) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
PubChem CID1084018
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccc(OC)cc3)no2)cc(OCC)c1OCC
InChIInChI=1S/C21H24N2O5/c1-5-25-17-12-15(13-18(26-6-2)19(17)27-7-3)21-22-20(23-28-21)14-8-10-16(24-4)11-9-14/h8-13H,5-7H2,1-4H3
InChIKeyBLQPXIARKNRUJJ-UHFFFAOYSA-N
XLogP4.61
TPSA75.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole (CID 1084018) is 3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole is CCOc1cc(-c2nc(-c3ccc(OC)cc3)no2)cc(OCC)c1OCC.
What is the InChIKey of 3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is BLQPXIARKNRUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-5-25-17-12-15(13-18(26-6-2)19(17)27-7-3)21-22-20(23-28-21)14-8-10-16(24-4)11-9-14/h8-13H,5-7H2,1-4H3.
What are the key properties of 3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole?
3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 384.43 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-(3,4,5-triethoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 1084018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).