N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine

C12H17N3O — CID 104879922

IUPACN-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCNCc1noc(C2C3C4CCC(C4)C23)n1
InChIInChI=1S/C12H17N3O/c1-13-5-8-14-12(16-15-8)11-9-6-2-3-7(4-6)10(9)11/h6-7,9-11,13H,2-5H2,1H3
InChIKeyWCUAUZLJQGWNTA-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.55
Rot. Bonds3

About N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine

N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 104879922) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID104879922
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESCNCc1noc(C2C3C4CCC(C4)C23)n1
InChIInChI=1S/C12H17N3O/c1-13-5-8-14-12(16-15-8)11-9-6-2-3-7(4-6)10(9)11/h6-7,9-11,13H,2-5H2,1H3
InChIKeyWCUAUZLJQGWNTA-UHFFFAOYSA-N
XLogP1.55
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine with MolForge

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Related Compounds

N-methyl-1-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 131165617
3-[2-[5-[(1S,2R,4S,5R)-3-tricyclo[3.2.1.02,4]octanyl]-1,2,4-oxadiazol-3-yl]ethyl]-1,2-benzoxazole
CID 139019220
N-methyl-1-[5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 115077172
1-[5-(1-ethylpiperidin-4-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115077179
N-methyl-1-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)methanamine
CID 115077717
1-[5-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 115078039
3-(3-butyl-1,2,4-oxadiazol-5-yl)bicyclo[2.2.1]heptan-2-amine
CID 79405619
1-[5-(cyclobutylmethyl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 104879933
N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 65159781
2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methylethanamine;hydrochloride
CID 53433662
1-[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylmethanamine
CID 79206746
3-(azepan-2-yl)-5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazole
CID 103972198

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 104879922) is N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine is CNCc1noc(C2C3C4CCC(C4)C23)n1.
What is the InChIKey of N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is WCUAUZLJQGWNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-13-5-8-14-12(16-15-8)11-9-6-2-3-7(4-6)10(9)11/h6-7,9-11,13H,2-5H2,1H3.
What are the key properties of N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine?
N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 219.29 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 104879922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).