2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole

C18H20N2O5 — CID 687460

IUPAC2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1cc(-c2nnc(-c3ccco3)o2)cc(OCC)c1OCC
InChIInChI=1S/C18H20N2O5/c1-4-21-14-10-12(11-15(22-5-2)16(14)23-6-3)17-19-20-18(25-17)13-8-7-9-24-13/h7-11H,4-6H2,1-3H3
InChIKeyOGYZPWONPFHXSP-UHFFFAOYSA-N
MW344.37 g/mol
LogP4.19
Rot. Bonds8

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

2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole (PubChem CID 687460) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole
PubChem CID687460
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole
SMILESCCOc1cc(-c2nnc(-c3ccco3)o2)cc(OCC)c1OCC
InChIInChI=1S/C18H20N2O5/c1-4-21-14-10-12(11-15(22-5-2)16(14)23-6-3)17-19-20-18(25-17)13-8-7-9-24-13/h7-11H,4-6H2,1-3H3
InChIKeyOGYZPWONPFHXSP-UHFFFAOYSA-N
XLogP4.19
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole (CID 687460) is 2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole is CCOc1cc(-c2nnc(-c3ccco3)o2)cc(OCC)c1OCC.
What is the InChIKey of 2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole?
The InChIKey is OGYZPWONPFHXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-4-21-14-10-12(11-15(22-5-2)16(14)23-6-3)17-19-20-18(25-17)13-8-7-9-24-13/h7-11H,4-6H2,1-3H3.
What are the key properties of 2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole?
2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole has a molecular weight of 344.37 g/mol, XLogP of 4.19, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 687460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).