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

C11H11N3O2 — CID 106525159

IUPAC4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCC(CCC#N)c1nc(-c2ccoc2)no1
InChIInChI=1S/C11H11N3O2/c1-8(3-2-5-12)11-13-10(14-16-11)9-4-6-15-7-9/h4,6-8H,2-3H2,1H3
InChIKeyDBASAGUKHCPJOI-UHFFFAOYSA-N
MW217.23 g/mol
LogP2.74
Rot. Bonds4

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

4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile (PubChem CID 106525159) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile.

Molecular Properties

Compound Name4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
PubChem CID106525159
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCC(CCC#N)c1nc(-c2ccoc2)no1
InChIInChI=1S/C11H11N3O2/c1-8(3-2-5-12)11-13-10(14-16-11)9-4-6-15-7-9/h4,6-8H,2-3H2,1H3
InChIKeyDBASAGUKHCPJOI-UHFFFAOYSA-N
XLogP2.74
TPSA75.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523542
4-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106850702
4-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106523497
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile
CID 106523647
4-[3-(2-nitrophenyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106524304
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527807
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106526949
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527510
4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106524258
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525156
1-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64672459
4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]benzonitrile
CID 106525160

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The IUPAC name of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile (CID 106525159) is 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile.
What is the SMILES notation for 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The canonical SMILES for 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile is CC(CCC#N)c1nc(-c2ccoc2)no1.
What is the InChIKey of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The InChIKey is DBASAGUKHCPJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-8(3-2-5-12)11-13-10(14-16-11)9-4-6-15-7-9/h4,6-8H,2-3H2,1H3.
What are the key properties of 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile has a molecular weight of 217.23 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile is sourced from PubChem (CID 106525159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).