5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole

C15H13N3O2 — CID 845667

IUPAC5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C15H13N3O2/c1-2-19-13-7-5-11(6-8-13)15-17-14(18-20-15)12-4-3-9-16-10-12/h3-10H,2H2,1H3
InChIKeyDWGNPBBEALVNIR-UHFFFAOYSA-N
MW267.29 g/mol
LogP3.20
Rot. Bonds4

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

5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (PubChem CID 845667) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
PubChem CID845667
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole
SMILESCCOc1ccc(-c2nc(-c3cccnc3)no2)cc1
InChIInChI=1S/C15H13N3O2/c1-2-19-13-7-5-11(6-8-13)15-17-14(18-20-15)12-4-3-9-16-10-12/h3-10H,2H2,1H3
InChIKeyDWGNPBBEALVNIR-UHFFFAOYSA-N
XLogP3.20
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole (CID 845667) is 5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
The InChIKey is DWGNPBBEALVNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-19-13-7-5-11(6-8-13)15-17-14(18-20-15)12-4-3-9-16-10-12/h3-10H,2H2,1H3.
What are the key properties of 5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole?
5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole has a molecular weight of 267.29 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-pyridin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 845667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).