1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile

C13H19N3O2 — CID 166301461

IUPAC1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile
SMILESCCc1noc(=O)n1CCC1(C#N)CCCCC1
InChIInChI=1S/C13H19N3O2/c1-2-11-15-18-12(17)16(11)9-8-13(10-14)6-4-3-5-7-13/h2-9H2,1H3
InChIKeyKSSQDDXXILKPLC-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.26
Rot. Bonds4

About 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile

1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile (PubChem CID 166301461) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile
PubChem CID166301461
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile
SMILESCCc1noc(=O)n1CCC1(C#N)CCCCC1
InChIInChI=1S/C13H19N3O2/c1-2-11-15-18-12(17)16(11)9-8-13(10-14)6-4-3-5-7-13/h2-9H2,1H3
InChIKeyKSSQDDXXILKPLC-UHFFFAOYSA-N
XLogP2.26
TPSA71.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile (CID 166301461) is 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile is CCc1noc(=O)n1CCC1(C#N)CCCCC1.
What is the InChIKey of 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile?
The InChIKey is KSSQDDXXILKPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-11-15-18-12(17)16(11)9-8-13(10-14)6-4-3-5-7-13/h2-9H2,1H3.
What are the key properties of 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile?
1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile has a molecular weight of 249.31 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-ethyl-5-oxo-1,2,4-oxadiazol-4-yl)ethyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 166301461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).