4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile

C14H20N4O — CID 106526653

IUPAC4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
SMILESCN1C2CCC1CC(c1noc(CCCC#N)n1)C2
InChIInChI=1S/C14H20N4O/c1-18-11-5-6-12(18)9-10(8-11)14-16-13(19-17-14)4-2-3-7-15/h10-12H,2-6,8-9H2,1H3
InChIKeyWBFZTFWZFNEQEU-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.26
Rot. Bonds4

About 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile

4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile (PubChem CID 106526653) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile.

Molecular Properties

Compound Name4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
PubChem CID106526653
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
SMILESCN1C2CCC1CC(c1noc(CCCC#N)n1)C2
InChIInChI=1S/C14H20N4O/c1-18-11-5-6-12(18)9-10(8-11)14-16-13(19-17-14)4-2-3-7-15/h10-12H,2-6,8-9H2,1H3
InChIKeyWBFZTFWZFNEQEU-UHFFFAOYSA-N
XLogP2.26
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile 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

5-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115997582
N-methyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112680517
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 115997587
1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115997649
3,3-dimethyl-1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 115998504
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-amine
CID 112680518
1-amino-2-methyl-3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115997614
3-[[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 115997657
(1S)-1-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104881230
5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
CID 112680499
(2R)-2-amino-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915934
3-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]propanenitrile
CID 106524881

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The IUPAC name of 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile (CID 106526653) is 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile.
What is the SMILES notation for 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The canonical SMILES for 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile is CN1C2CCC1CC(c1noc(CCCC#N)n1)C2.
What is the InChIKey of 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile?
The InChIKey is WBFZTFWZFNEQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-18-11-5-6-12(18)9-10(8-11)14-16-13(19-17-14)4-2-3-7-15/h10-12H,2-6,8-9H2,1H3.
What are the key properties of 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile?
4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile has a molecular weight of 260.34 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 4-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile is sourced from PubChem (CID 106526653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).