3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole

C17H15FN4O — CID 53011746

IUPAC3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3ccc(N4CCCC4)nc3)n2)cc1
InChIInChI=1S/C17H15FN4O/c18-14-6-3-12(4-7-14)16-20-17(23-21-16)13-5-8-15(19-11-13)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2
InChIKeyPQTSZGDZRPSARG-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.54
Rot. Bonds3

About 3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole

3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53011746) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
PubChem CID53011746
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccc(-c2noc(-c3ccc(N4CCCC4)nc3)n2)cc1
InChIInChI=1S/C17H15FN4O/c18-14-6-3-12(4-7-14)16-20-17(23-21-16)13-5-8-15(19-11-13)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2
InChIKeyPQTSZGDZRPSARG-UHFFFAOYSA-N
XLogP3.54
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole (CID 53011746) is 3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole is Fc1ccc(-c2noc(-c3ccc(N4CCCC4)nc3)n2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is PQTSZGDZRPSARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-14-6-3-12(4-7-14)16-20-17(23-21-16)13-5-8-15(19-11-13)22-9-1-2-10-22/h3-8,11H,1-2,9-10H2.
What are the key properties of 3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole?
3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole has a molecular weight of 310.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-(6-pyrrolidin-1-yl-3-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53011746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).