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

C8H11N3O — CID 106523822

IUPAC4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile
SMILESCCc1noc(CCCC#N)n1
InChIInChI=1S/C8H11N3O/c1-2-7-10-8(12-11-7)5-3-4-6-9/h2-5H2,1H3
InChIKeyYRWKLYKNZQNAQJ-UHFFFAOYSA-N
MW165.20 g/mol
LogP1.48
Rot. Bonds4

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

4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile (PubChem CID 106523822) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile.

Molecular Properties

Compound Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile
PubChem CID106523822
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile
SMILESCCc1noc(CCCC#N)n1
InChIInChI=1S/C8H11N3O/c1-2-7-10-8(12-11-7)5-3-4-6-9/h2-5H2,1H3
InChIKeyYRWKLYKNZQNAQJ-UHFFFAOYSA-N
XLogP1.48
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524226
4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525870
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524629
4-[3-[ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527426
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152043
4-[3-[(2-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106525720
4-(5-methyl-1,2,4-oxadiazol-3-yl)butanenitrile
CID 83872495
3-[3-[2-(2,2-difluoroethoxy)ethyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106527740
5-(chloromethyl)-3-ethyl-1,2,4-oxadiazole
CID 161311247
3-[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524442
4-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527106
4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106526653

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile?
The IUPAC name of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile (CID 106523822) is 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile.
What is the SMILES notation for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile?
The canonical SMILES for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile is CCc1noc(CCCC#N)n1.
What is the InChIKey of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile?
The InChIKey is YRWKLYKNZQNAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-7-10-8(12-11-7)5-3-4-6-9/h2-5H2,1H3.
What are the key properties of 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile?
4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile has a molecular weight of 165.20 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethyl-1,2,4-oxadiazol-5-yl)butanenitrile is sourced from PubChem (CID 106523822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).