2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile

C8H11N3O2 — CID 106526668

IUPAC2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile
SMILESCOC(C)Cc1noc(CC#N)n1
InChIInChI=1S/C8H11N3O2/c1-6(12-2)5-7-10-8(3-4-9)13-11-7/h6H,3,5H2,1-2H3
InChIKeyZSOGICDXAJJSQG-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.71
Rot. Bonds4

About 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile

2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile (PubChem CID 106526668) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile
PubChem CID106526668
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile
SMILESCOC(C)Cc1noc(CC#N)n1
InChIInChI=1S/C8H11N3O2/c1-6(12-2)5-7-10-8(3-4-9)13-11-7/h6H,3,5H2,1-2H3
InChIKeyZSOGICDXAJJSQG-UHFFFAOYSA-N
XLogP0.71
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile (CID 106526668) is 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile is COC(C)Cc1noc(CC#N)n1.
What is the InChIKey of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The InChIKey is ZSOGICDXAJJSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-6(12-2)5-7-10-8(3-4-9)13-11-7/h6H,3,5H2,1-2H3.
What are the key properties of 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile has a molecular weight of 181.19 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]acetonitrile is sourced from PubChem (CID 106526668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).