4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile

C12H12N4O — CID 106523647

IUPAC4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile
SMILESCC(CCC#N)c1nc(-c2ccccn2)no1
InChIInChI=1S/C12H12N4O/c1-9(5-4-7-13)12-15-11(16-17-12)10-6-2-3-8-14-10/h2-3,6,8-9H,4-5H2,1H3
InChIKeyBHMPCZJOCUDAHW-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.54
Rot. Bonds4

About 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile

4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile (PubChem CID 106523647) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile.

Molecular Properties

Compound Name4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile
PubChem CID106523647
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile
SMILESCC(CCC#N)c1nc(-c2ccccn2)no1
InChIInChI=1S/C12H12N4O/c1-9(5-4-7-13)12-15-11(16-17-12)10-6-2-3-8-14-10/h2-3,6,8-9H,4-5H2,1H3
InChIKeyBHMPCZJOCUDAHW-UHFFFAOYSA-N
XLogP2.54
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43096854
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523542
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527807
3-methyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43099782
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106525159
4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106524304
4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106850702
2-amino-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 43110252
(1S)-2-amino-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 107836639
2,2-dimethyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43470366
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523497

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile?
The IUPAC name of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile (CID 106523647) is 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile.
What is the SMILES notation for 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile?
The canonical SMILES for 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile is CC(CCC#N)c1nc(-c2ccccn2)no1.
What is the InChIKey of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile?
The InChIKey is BHMPCZJOCUDAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-9(5-4-7-13)12-15-11(16-17-12)10-6-2-3-8-14-10/h2-3,6,8-9H,4-5H2,1H3.
What are the key properties of 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile?
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile has a molecular weight of 228.25 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile is sourced from PubChem (CID 106523647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).