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

C15H12FN3O2 — CID 99962732

IUPAC2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCCOc1ncccc1-c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C15H12FN3O2/c1-2-20-13-11(7-5-9-17-13)15-19-18-14(21-15)10-6-3-4-8-12(10)16/h3-9H,2H2,1H3
InChIKeyKOORCBUFTARGQG-UHFFFAOYSA-N
MW285.28 g/mol
LogP3.34
Rot. Bonds4

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

2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 99962732) has the molecular formula C15H12FN3O2 and a molecular weight of 285.28 g/mol. Its IUPAC name is 2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
PubChem CID99962732
Molecular FormulaC15H12FN3O2
Molecular Weight285.28 g/mol
Exact Mass285.09
IUPAC Name2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole
SMILESCCOc1ncccc1-c1nnc(-c2ccccc2F)o1
InChIInChI=1S/C15H12FN3O2/c1-2-20-13-11(7-5-9-17-13)15-19-18-14(21-15)10-6-3-4-8-12(10)16/h3-9H,2H2,1H3
InChIKeyKOORCBUFTARGQG-UHFFFAOYSA-N
XLogP3.34
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole (CID 99962732) is 2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole is CCOc1ncccc1-c1nnc(-c2ccccc2F)o1.
What is the InChIKey of 2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is KOORCBUFTARGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O2/c1-2-20-13-11(7-5-9-17-13)15-19-18-14(21-15)10-6-3-4-8-12(10)16/h3-9H,2H2,1H3.
What are the key properties of 2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole?
2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 285.28 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxy-3-pyridinyl)-5-(2-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).