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

C7H9N3O2 — CID 56923500

IUPAC2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile
SMILESCOCCc1noc(CC#N)n1
InChIInChI=1S/C7H9N3O2/c1-11-5-3-6-9-7(2-4-8)12-10-6/h2-3,5H2,1H3
InChIKeyYELNPQYGIHILQQ-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.32
Rot. Bonds4

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

2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile (PubChem CID 56923500) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile
PubChem CID56923500
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile
SMILESCOCCc1noc(CC#N)n1
InChIInChI=1S/C7H9N3O2/c1-11-5-3-6-9-7(2-4-8)12-10-6/h2-3,5H2,1H3
InChIKeyYELNPQYGIHILQQ-UHFFFAOYSA-N
XLogP0.32
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The IUPAC name of 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile (CID 56923500) is 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile.
What is the SMILES notation for 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The canonical SMILES for 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile is COCCc1noc(CC#N)n1.
What is the InChIKey of 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
The InChIKey is YELNPQYGIHILQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-11-5-3-6-9-7(2-4-8)12-10-6/h2-3,5H2,1H3.
What are the key properties of 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile?
2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile has a molecular weight of 167.17 g/mol, XLogP of 0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]acetonitrile is sourced from PubChem (CID 56923500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).