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

C13H21N3O — CID 113383365

IUPAC2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNCCc1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C13H21N3O/c1-2-14-6-5-12-15-13(16-17-12)11-8-9-3-4-10(11)7-9/h9-11,14H,2-8H2,1H3
InChIKeyPMUGJHCHTGKFQW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.13
Rot. Bonds5

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

2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (PubChem CID 113383365) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.

Molecular Properties

Compound Name2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
PubChem CID113383365
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
SMILESCCNCCc1nc(C2CC3CCC2C3)no1
InChIInChI=1S/C13H21N3O/c1-2-14-6-5-12-15-13(16-17-12)11-8-9-3-4-10(11)7-9/h9-11,14H,2-8H2,1H3
InChIKeyPMUGJHCHTGKFQW-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'}

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Related Compounds

3-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 113383352
N-[[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropylmethanamine
CID 113383371
5-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 113383370
N-ethyl-2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65331838
2-[3-(3,4-dihydro-2H-chromen-4-yl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 65414307
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813532
(1S)-2-amino-1-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837256
5-amino-2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847082
3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071027
2-[3-[(dimethylamino)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylethanamine
CID 79077361
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]-N-ethylethanamine
CID 62336678
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-5,6-dimethylpyrimidin-4-amine
CID 113383589

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine (CID 113383365) is 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine.
What is the SMILES notation for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The canonical SMILES for 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is CCNCCc1nc(C2CC3CCC2C3)no1.
What is the InChIKey of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
The InChIKey is PMUGJHCHTGKFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-14-6-5-12-15-13(16-17-12)11-8-9-3-4-10(11)7-9/h9-11,14H,2-8H2,1H3.
What are the key properties of 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine?
2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine 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 2-[3-(2-bicyclo[2.2.1]heptanyl)-1,2,4-oxadiazol-5-yl]-N-ethylethanamine is sourced from PubChem (CID 113383365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).