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

C13H19N3O2 — CID 106526776

IUPAC4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCOC1(c2noc(C(C)CCC#N)n2)CCCC1
InChIInChI=1S/C13H19N3O2/c1-10(6-5-9-14)11-15-12(16-18-11)13(17-2)7-3-4-8-13/h10H,3-8H2,1-2H3
InChIKeyHZDHSFUOCMPZQN-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.89
Rot. Bonds5

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

4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile (PubChem CID 106526776) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile.

Molecular Properties

Compound Name4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
PubChem CID106526776
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCOC1(c2noc(C(C)CCC#N)n2)CCCC1
InChIInChI=1S/C13H19N3O2/c1-10(6-5-9-14)11-15-12(16-18-11)13(17-2)7-3-4-8-13/h10H,3-8H2,1-2H3
InChIKeyHZDHSFUOCMPZQN-UHFFFAOYSA-N
XLogP2.89
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 104609629
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
5-(1-chloroethyl)-3-(1-methoxycyclobutyl)-1,2,4-oxadiazole
CID 116701136
(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899668
(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909661
1-amino-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116701498
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine
CID 116701304
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
N-ethyl-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612040
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 116781227
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The IUPAC name of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile (CID 106526776) is 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile.
What is the SMILES notation for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The canonical SMILES for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile is COC1(c2noc(C(C)CCC#N)n2)CCCC1.
What is the InChIKey of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The InChIKey is HZDHSFUOCMPZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10(6-5-9-14)11-15-12(16-18-11)13(17-2)7-3-4-8-13/h10H,3-8H2,1-2H3.
What are the key properties of 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile has a molecular weight of 249.31 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile is sourced from PubChem (CID 106526776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).