2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile

C10H9N5O — CID 106523990

IUPAC2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile
SMILESCC(C#N)Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C10H9N5O/c1-7(6-11)5-8-14-10(15-16-8)9-12-3-2-4-13-9/h2-4,7H,5H2,1H3
InChIKeyFZQXSDHCADSCLU-UHFFFAOYSA-N
MW215.22 g/mol
LogP1.23
Rot. Bonds3

About 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile

2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile (PubChem CID 106523990) has the molecular formula C10H9N5O and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile.

Molecular Properties

Compound Name2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile
PubChem CID106523990
Molecular FormulaC10H9N5O
Molecular Weight215.22 g/mol
Exact Mass215.08
IUPAC Name2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile
SMILESCC(C#N)Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C10H9N5O/c1-7(6-11)5-8-14-10(15-16-8)9-12-3-2-4-13-9/h2-4,7H,5H2,1H3
InChIKeyFZQXSDHCADSCLU-UHFFFAOYSA-N
XLogP1.23
TPSA88.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345690
2-methyl-3-[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106526114
2-methyl-3-[3-(3-methyl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106526560
3-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526680
3-[3-(4-hydroxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 136770721
3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348786
3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345645
3-[3-(5-bromo-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526135
3-[3-(3-bromoquinolin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526104
3-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526952
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106526095
1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345603

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile?
The IUPAC name of 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile (CID 106523990) is 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile.
What is the SMILES notation for 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile?
The canonical SMILES for 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile is CC(C#N)Cc1nc(-c2ncccn2)no1.
What is the InChIKey of 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile?
The InChIKey is FZQXSDHCADSCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O/c1-7(6-11)5-8-14-10(15-16-8)9-12-3-2-4-13-9/h2-4,7H,5H2,1H3.
What are the key properties of 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile?
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile has a molecular weight of 215.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile is sourced from PubChem (CID 106523990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).