3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile

C14H21N3O — CID 106526000

IUPAC3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile
SMILESCC(C#N)Cc1nc(C2CCCCCCC2)no1
InChIInChI=1S/C14H21N3O/c1-11(10-15)9-13-16-14(17-18-13)12-7-5-3-2-4-6-8-12/h11-12H,2-9H2,1H3
InChIKeyMFJSOQHTKYTLPJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.60
Rot. Bonds3

About 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile

3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile (PubChem CID 106526000) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile
PubChem CID106526000
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile
SMILESCC(C#N)Cc1nc(C2CCCCCCC2)no1
InChIInChI=1S/C14H21N3O/c1-11(10-15)9-13-16-14(17-18-13)12-7-5-3-2-4-6-8-12/h11-12H,2-9H2,1H3
InChIKeyMFJSOQHTKYTLPJ-UHFFFAOYSA-N
XLogP3.60
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525013
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 65425182
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106527287
(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methanol
CID 80611110
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292
3-methyl-4-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106524922
2-methyl-3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106525935
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
N-[(3-cyclooctyl-1,2,4-oxadiazol-5-yl)methyl]prop-2-yn-1-amine
CID 80602418
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-1-phenylethanol
CID 65425762

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile (CID 106526000) is 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile is CC(C#N)Cc1nc(C2CCCCCCC2)no1.
What is the InChIKey of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile?
The InChIKey is MFJSOQHTKYTLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(10-15)9-13-16-14(17-18-13)12-7-5-3-2-4-6-8-12/h11-12H,2-9H2,1H3.
What are the key properties of 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile?
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile has a molecular weight of 247.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile is sourced from PubChem (CID 106526000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).