6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile

C12H10N4O — CID 106525265

IUPAC6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(C3CCC3)no2)nc1
InChIInChI=1S/C12H10N4O/c13-6-8-4-5-10(14-7-8)12-15-11(16-17-12)9-2-1-3-9/h4-5,7,9H,1-3H2
InChIKeyNBIDNEKJLFBYTM-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.27
Rot. Bonds2

About 6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile

6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile (PubChem CID 106525265) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
PubChem CID106525265
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(C3CCC3)no2)nc1
InChIInChI=1S/C12H10N4O/c13-6-8-4-5-10(14-7-8)12-15-11(16-17-12)9-2-1-3-9/h4-5,7,9H,1-3H2
InChIKeyNBIDNEKJLFBYTM-UHFFFAOYSA-N
XLogP2.27
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892
6-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526066
6-(3-pyrrolidin-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 63748661
6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 112572198
6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 71921724
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 71876923
6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 63748662
6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526743
6-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106527255
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
CID 106525087
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)thiophene-3-carbonitrile
CID 106526006
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-pyrrole-2-carbonitrile
CID 136683202

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile (CID 106525265) is 6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2nc(C3CCC3)no2)nc1.
What is the InChIKey of 6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The InChIKey is NBIDNEKJLFBYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c13-6-8-4-5-10(14-7-8)12-15-11(16-17-12)9-2-1-3-9/h4-5,7,9H,1-3H2.
What are the key properties of 6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile has a molecular weight of 226.24 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 106525265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).