2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole

C18H17FN4O — CID 75615658

IUPAC2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(C2CCN(Cc3ccccn3)C2)o1
InChIInChI=1S/C18H17FN4O/c19-16-7-2-1-6-15(16)18-22-21-17(24-18)13-8-10-23(11-13)12-14-5-3-4-9-20-14/h1-7,9,13H,8,10-12H2
InChIKeyWBYDNGDIZABVIQ-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.26
Rot. Bonds4

About 2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole

2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (PubChem CID 75615658) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
PubChem CID75615658
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
SMILESFc1ccccc1-c1nnc(C2CCN(Cc3ccccn3)C2)o1
InChIInChI=1S/C18H17FN4O/c19-16-7-2-1-6-15(16)18-22-21-17(24-18)13-8-10-23(11-13)12-14-5-3-4-9-20-14/h1-7,9,13H,8,10-12H2
InChIKeyWBYDNGDIZABVIQ-UHFFFAOYSA-N
XLogP3.26
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-Phenyl-1-(5-pyridin-4-yl-[1,3,4]oxadiazol-2-yl)-heptan-1-one
CID 11631387
Dimethyl-[4-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-amine
CID 865622
2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(1-methylindol-3-yl)-1,3,4-oxadiazole
CID 14810904
4-(5-Pentadecyl-1,3,4-oxadiazol-2-yl)pyridine
CID 17757647
3-{5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl}pyridine
CID 850835
4-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 731741
1-Methyl-3-(5-phenyl-[1,3,4]oxadiazol-2-yl)-1H-indole
CID 860743
4-(5-Heptadecyl-1,3,4-oxadiazol-2-yl)pyridine
CID 17757646
2-Cyclohexyl-5-[4-(trifluoromethyl)-3-pyridyl]-1,3,4-oxadiazole
CID 2726889
3-(5-Phenyl-1,3,4-oxadiazol-2-yl)pyridine
CID 740477
2-(5-Pyridin-4-yl-1,3,4-oxadiazol-2-yl)aniline
CID 6461912
US10464911, Example 30
CID 126508037

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole (CID 75615658) is 2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is Fc1ccccc1-c1nnc(C2CCN(Cc3ccccn3)C2)o1.
What is the InChIKey of 2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is WBYDNGDIZABVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c19-16-7-2-1-6-15(16)18-22-21-17(24-18)13-8-10-23(11-13)12-14-5-3-4-9-20-14/h1-7,9,13H,8,10-12H2.
What are the key properties of 2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole?
2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 324.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 75615658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).