4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile

C12H13N5O2 — CID 106527807

IUPAC4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCOc1cc(-c2noc(C(C)CCC#N)n2)ncn1
InChIInChI=1S/C12H13N5O2/c1-8(4-3-5-13)12-16-11(17-19-12)9-6-10(18-2)15-7-14-9/h6-8H,3-4H2,1-2H3
InChIKeyNLCGBQGPCNQOSC-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.94
Rot. Bonds5

About 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile

4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile (PubChem CID 106527807) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile.

Molecular Properties

Compound Name4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
PubChem CID106527807
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCOc1cc(-c2noc(C(C)CCC#N)n2)ncn1
InChIInChI=1S/C12H13N5O2/c1-8(4-3-5-13)12-16-11(17-19-12)9-6-10(18-2)15-7-14-9/h6-8H,3-4H2,1-2H3
InChIKeyNLCGBQGPCNQOSC-UHFFFAOYSA-N
XLogP1.94
TPSA97.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102949609
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 102949718
1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 102953000
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 102953039
(1S)-3-amino-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837416
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile
CID 106523647
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 102949555
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-4,4-dimethylpentan-1-amine
CID 107473668
3-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 102953025
3-(6-methoxypyrimidin-4-yl)-5-(2-methyl-1-phenylpropyl)-1,2,4-oxadiazole
CID 166235890
4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106850702
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523542

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The IUPAC name of 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile (CID 106527807) is 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile.
What is the SMILES notation for 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The canonical SMILES for 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile is COc1cc(-c2noc(C(C)CCC#N)n2)ncn1.
What is the InChIKey of 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The InChIKey is NLCGBQGPCNQOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-8(4-3-5-13)12-16-11(17-19-12)9-6-10(18-2)15-7-14-9/h6-8H,3-4H2,1-2H3.
What are the key properties of 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile has a molecular weight of 259.27 g/mol, XLogP of 1.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile is sourced from PubChem (CID 106527807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).