5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

C17H16FN3O3 — CID 137385172

IUPAC5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccncc3)no2)ccc1OCCF
InChIInChI=1S/C17H16FN3O3/c1-2-22-15-11-13(3-4-14(15)23-10-7-18)17-20-16(21-24-17)12-5-8-19-9-6-12/h3-6,8-9,11H,2,7,10H2,1H3
InChIKeyJBZJHYZUGWKRGN-UHFFFAOYSA-N
MW329.33 g/mol
LogP3.55
Rot. Bonds7

About 5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole

5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 137385172) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is 5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID137385172
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC Name5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCOc1cc(-c2nc(-c3ccncc3)no2)ccc1OCCF
InChIInChI=1S/C17H16FN3O3/c1-2-22-15-11-13(3-4-14(15)23-10-7-18)17-20-16(21-24-17)12-5-8-19-9-6-12/h3-6,8-9,11H,2,7,10H2,1H3
InChIKeyJBZJHYZUGWKRGN-UHFFFAOYSA-N
XLogP3.55
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole (CID 137385172) is 5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is CCOc1cc(-c2nc(-c3ccncc3)no2)ccc1OCCF.
What is the InChIKey of 5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is JBZJHYZUGWKRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-2-22-15-11-13(3-4-14(15)23-10-7-18)17-20-16(21-24-17)12-5-8-19-9-6-12/h3-6,8-9,11H,2,7,10H2,1H3.
What are the key properties of 5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole?
5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 329.33 g/mol, XLogP of 3.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-ethoxy-4-(2-fluoroethoxy)phenyl]-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 137385172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).