3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile

C13H19N3O — CID 106525266

IUPAC3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile
SMILESCCC(C)(CC#N)Cc1nc(C2CCC2)no1
InChIInChI=1S/C13H19N3O/c1-3-13(2,7-8-14)9-11-15-12(16-17-11)10-5-4-6-10/h10H,3-7,9H2,1-2H3
InChIKeyDYJKMKCJNFYWHR-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.21
Rot. Bonds5

About 3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile

3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile (PubChem CID 106525266) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile.

Molecular Properties

Compound Name3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile
PubChem CID106525266
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile
SMILESCCC(C)(CC#N)Cc1nc(C2CCC2)no1
InChIInChI=1S/C13H19N3O/c1-3-13(2,7-8-14)9-11-15-12(16-17-11)10-5-4-6-10/h10H,3-7,9H2,1-2H3
InChIKeyDYJKMKCJNFYWHR-UHFFFAOYSA-N
XLogP3.21
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
CID 106524398
3-methyl-3-[[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pentanenitrile
CID 106524410
3-[[3-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
CID 106523598
4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-3,3-dimethylbutanoic acid
CID 80609878
3-[[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylpentanenitrile
CID 106527319
2-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-2,3-dimethylbutanoic acid
CID 64982392
(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methanamine
CID 64982066
3-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-2-methylpropanenitrile
CID 106526000
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)butan-2-one
CID 63346866
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N,3,3-trimethylbutan-2-amine
CID 64985811
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-methylbutan-2-amine
CID 65390099
3-cyclobutyl-N-ethyl-1,2,4-oxadiazol-5-amine
CID 64985459

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile?
The IUPAC name of 3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile (CID 106525266) is 3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile.
What is the SMILES notation for 3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile?
The canonical SMILES for 3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile is CCC(C)(CC#N)Cc1nc(C2CCC2)no1.
What is the InChIKey of 3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile?
The InChIKey is DYJKMKCJNFYWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-13(2,7-8-14)9-11-15-12(16-17-11)10-5-4-6-10/h10H,3-7,9H2,1-2H3.
What are the key properties of 3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile?
3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile has a molecular weight of 233.31 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclobutyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanenitrile is sourced from PubChem (CID 106525266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).