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

C21H16FN3O2 — CID 2211487

IUPAC3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2F)n1
InChIInChI=1S/C21H16FN3O2/c1-2-26-20-16(12-13-18(23-20)14-8-4-3-5-9-14)19-24-21(27-25-19)15-10-6-7-11-17(15)22/h3-13H,2H2,1H3
InChIKeyRDLKBCYIMSEHPR-UHFFFAOYSA-N
MW361.38 g/mol
LogP5.00
Rot. Bonds5

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

3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 2211487) has the molecular formula C21H16FN3O2 and a molecular weight of 361.38 g/mol. Its IUPAC name is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
PubChem CID2211487
Molecular FormulaC21H16FN3O2
Molecular Weight361.38 g/mol
Exact Mass361.12
IUPAC Name3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole
SMILESCCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2F)n1
InChIInChI=1S/C21H16FN3O2/c1-2-26-20-16(12-13-18(23-20)14-8-4-3-5-9-14)19-24-21(27-25-19)15-10-6-7-11-17(15)22/h3-13H,2H2,1H3
InChIKeyRDLKBCYIMSEHPR-UHFFFAOYSA-N
XLogP5.00
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole (CID 2211487) is 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole is CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccccc2F)n1.
What is the InChIKey of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is RDLKBCYIMSEHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O2/c1-2-26-20-16(12-13-18(23-20)14-8-4-3-5-9-14)19-24-21(27-25-19)15-10-6-7-11-17(15)22/h3-13H,2H2,1H3.
What are the key properties of 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole?
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 361.38 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(2-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 2211487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).