5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile

C16H16FN5O — CID 171995933

IUPAC5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC(F)(c3nc(C4CCC4)no3)C2)cn1
InChIInChI=1S/C16H16FN5O/c17-16(15-20-14(21-23-15)11-2-1-3-11)6-7-22(10-16)13-5-4-12(8-18)19-9-13/h4-5,9,11H,1-3,6-7,10H2
InChIKeyQFZKMNPWLLMMFB-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.68
Rot. Bonds3

About 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile

5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile (PubChem CID 171995933) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile
PubChem CID171995933
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCC(F)(c3nc(C4CCC4)no3)C2)cn1
InChIInChI=1S/C16H16FN5O/c17-16(15-20-14(21-23-15)11-2-1-3-11)6-7-22(10-16)13-5-4-12(8-18)19-9-13/h4-5,9,11H,1-3,6-7,10H2
InChIKeyQFZKMNPWLLMMFB-UHFFFAOYSA-N
XLogP2.68
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

2-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyrimidine-4-carbonitrile
CID 171326751
5-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133475245
3-cyclopropyl-5-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-3-fluoropyrrolidin-3-yl]-1,2,4-oxadiazole
CID 171326859
3-cyclobutyl-5-[3-fluoro-1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 172906396
5-(4,4-dimethylazepan-1-yl)pyridine-2-carbonitrile
CID 79839803
5-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyridine-2-carbonitrile
CID 86782075
5-(3-hydroxy-3-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 115871405
5-(4-methylpiperidin-1-yl)pyridine-2-carbonitrile
CID 79839657
5-morpholin-4-ylpyridine-2-carbonitrile
CID 43811106
5-[4-(2-aminoethyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 115490407
fluoromethane;5-(4-piperidin-1-ylpiperidin-1-yl)pyridine-2-carbonitrile
CID 169148651
1-(6-cyano-3-pyridinyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150514

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile (CID 171995933) is 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCC(F)(c3nc(C4CCC4)no3)C2)cn1.
What is the InChIKey of 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile?
The InChIKey is QFZKMNPWLLMMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c17-16(15-20-14(21-23-15)11-2-1-3-11)6-7-22(10-16)13-5-4-12(8-18)19-9-13/h4-5,9,11H,1-3,6-7,10H2.
What are the key properties of 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile?
5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile has a molecular weight of 313.34 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-fluoropyrrolidin-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 171995933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).