3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole

C19H15N3O3 — CID 645766

IUPAC3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C19H15N3O3/c1-2-23-18-14(10-11-15(20-18)13-7-4-3-5-8-13)17-21-19(25-22-17)16-9-6-12-24-16/h3-12H,2H2,1H3
InChIKeyCPLBEUOYJJLBDM-UHFFFAOYSA-N
MW333.35 g/mol
LogP4.46
Rot. Bonds5

About 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole

3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole (PubChem CID 645766) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole
PubChem CID645766
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1
InChIInChI=1S/C19H15N3O3/c1-2-23-18-14(10-11-15(20-18)13-7-4-3-5-8-13)17-21-19(25-22-17)16-9-6-12-24-16/h3-12H,2H2,1H3
InChIKeyCPLBEUOYJJLBDM-UHFFFAOYSA-N
XLogP4.46
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole (CID 645766) is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole is CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1.
What is the InChIKey of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
The InChIKey is CPLBEUOYJJLBDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-2-23-18-14(10-11-15(20-18)13-7-4-3-5-8-13)17-21-19(25-22-17)16-9-6-12-24-16/h3-12H,2H2,1H3.
What are the key properties of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole?
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole has a molecular weight of 333.35 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(furan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 645766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).