2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile

C6H7N3O — CID 91618403

IUPAC2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile
SMILESCCc1noc(CC#N)n1
InChIInChI=1S/C6H7N3O/c1-2-5-8-6(3-4-7)10-9-5/h2-3H2,1H3
InChIKeyCHSLJOCABAWFJZ-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.70
Rot. Bonds2

About 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile

2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile (PubChem CID 91618403) has the molecular formula C6H7N3O and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile
PubChem CID91618403
Molecular FormulaC6H7N3O
Molecular Weight137.14 g/mol
Exact Mass137.06
IUPAC Name2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile
SMILESCCc1noc(CC#N)n1
InChIInChI=1S/C6H7N3O/c1-2-5-8-6(3-4-7)10-9-5/h2-3H2,1H3
InChIKeyCHSLJOCABAWFJZ-UHFFFAOYSA-N
XLogP0.70
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile?
The IUPAC name of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile (CID 91618403) is 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile.
What is the SMILES notation for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile?
The canonical SMILES for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile is CCc1noc(CC#N)n1.
What is the InChIKey of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile?
The InChIKey is CHSLJOCABAWFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O/c1-2-5-8-6(3-4-7)10-9-5/h2-3H2,1H3.
What are the key properties of 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile?
2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile has a molecular weight of 137.14 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-1,2,4-oxadiazol-5-yl)acetonitrile is sourced from PubChem (CID 91618403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).