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

C17H15FN4O — CID 53133361

IUPAC5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2ccnc(N3CCCC3)c2)no1
InChIInChI=1S/C17H15FN4O/c18-14-6-2-1-5-13(14)17-20-16(21-23-17)12-7-8-19-15(11-12)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2
InChIKeyYRLUAXSKGUMIKN-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.54
Rot. Bonds3

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

5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole (PubChem CID 53133361) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
PubChem CID53133361
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC Name5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2ccnc(N3CCCC3)c2)no1
InChIInChI=1S/C17H15FN4O/c18-14-6-2-1-5-13(14)17-20-16(21-23-17)12-7-8-19-15(11-12)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2
InChIKeyYRLUAXSKGUMIKN-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

Analyze 5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole (CID 53133361) is 5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole is Fc1ccccc1-c1nc(-c2ccnc(N3CCCC3)c2)no1.
What is the InChIKey of 5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
The InChIKey is YRLUAXSKGUMIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-14-6-2-1-5-13(14)17-20-16(21-23-17)12-7-8-19-15(11-12)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10H2.
What are the key properties of 5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole?
5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-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 5-(2-fluorophenyl)-3-(2-pyrrolidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53133361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).