4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile

C12H19N3O2 — CID 106527156

IUPAC4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCCOC(C)(C)c1noc(C(C)CCC#N)n1
InChIInChI=1S/C12H19N3O2/c1-5-16-12(3,4)11-14-10(17-15-11)9(2)7-6-8-13/h9H,5-7H2,1-4H3
InChIKeyZRVTYXZKRKSZQJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.75
Rot. Bonds6

About 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile

4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile (PubChem CID 106527156) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile.

Molecular Properties

Compound Name4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
PubChem CID106527156
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
SMILESCCOC(C)(C)c1noc(C(C)CCC#N)n1
InChIInChI=1S/C12H19N3O2/c1-5-16-12(3,4)11-14-10(17-15-11)9(2)7-6-8-13/h9H,5-7H2,1-4H3
InChIKeyZRVTYXZKRKSZQJ-UHFFFAOYSA-N
XLogP2.75
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915981
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]acetonitrile
CID 106527167
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116704581
4-[3-(diethylamino)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106526949
4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentanenitrile
CID 106523647
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106526776
4-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527510
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116704420
1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116733624
4-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile
CID 106527807
(1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894834
4-[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 116704439

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The IUPAC name of 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile (CID 106527156) is 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile.
What is the SMILES notation for 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The canonical SMILES for 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile is CCOC(C)(C)c1noc(C(C)CCC#N)n1.
What is the InChIKey of 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
The InChIKey is ZRVTYXZKRKSZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-16-12(3,4)11-14-10(17-15-11)9(2)7-6-8-13/h9H,5-7H2,1-4H3.
What are the key properties of 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile?
4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile has a molecular weight of 237.30 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]pentanenitrile is sourced from PubChem (CID 106527156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).