3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine

C13H21N3O — CID 113383352

IUPAC3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C13H21N3O/c1-14-6-2-3-12-15-13(16-17-12)11-8-9-4-5-10(11)7-9/h9-11,14H,2-8H2,1H3
InChIKeyVZNSPQUGFNKQOI-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds5

About 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine

3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine (PubChem CID 113383352) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
PubChem CID113383352
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C13H21N3O/c1-14-6-2-3-12-15-13(16-17-12)11-8-9-4-5-10(11)7-9/h9-11,14H,2-8H2,1H3
InChIKeyVZNSPQUGFNKQOI-UHFFFAOYSA-N
XLogP2.13
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine 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

2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 113383365
5-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113383370
3-[5-(2-bicyclo[2.2.1]heptanyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65187342
N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
CID 113383371
3-[3-(3,3-difluorocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 114215234
N-methyl-3-[3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 115081618
N-methyl-3-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 103985627
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813532
3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropan-1-amine
CID 43152043
(1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837256
N-methyl-2-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112680517
2-[3-(1,1-dioxothiolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 115081368

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine (CID 113383352) is 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine is CNCCCc1nc(C2CC3CCC2C3)no1.
What is the InChIKey of 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine?
The InChIKey is VZNSPQUGFNKQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-14-6-2-3-12-15-13(16-17-12)11-8-9-4-5-10(11)7-9/h9-11,14H,2-8H2,1H3.
What are the key properties of 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine?
3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 113383352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).