N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

C12H21N3O2 — CID 65159675

IUPACN-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(C2C(C)OC(C)C2C)n1
InChIInChI=1S/C12H21N3O2/c1-5-13-6-10-14-12(17-15-10)11-7(2)8(3)16-9(11)4/h7-9,11,13H,5-6H2,1-4H3
InChIKeyOOJXPUDVJNVXSU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.71
Rot. Bonds4

About N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine

N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (PubChem CID 65159675) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
PubChem CID65159675
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
SMILESCCNCc1noc(C2C(C)OC(C)C2C)n1
InChIInChI=1S/C12H21N3O2/c1-5-13-6-10-14-12(17-15-10)11-7(2)8(3)16-9(11)4/h7-9,11,13H,5-6H2,1-4H3
InChIKeyOOJXPUDVJNVXSU-UHFFFAOYSA-N
XLogP1.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 65159781
N-[(5-cyclohexyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 62342162
N-[[5-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 107127585
N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
CID 60722213
N-[(5-nonyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 65427563
N-methyl-1-[5-(3-oxabicyclo[3.1.0]hexan-6-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 131165617
N-[[5-(3-methylimidazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 103511959
N-methyl-1-[5-(3-tricyclo[3.2.1.02,4]octanyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 104879922
N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159673
N-[[5-(4-tert-butylphenyl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62341778
N-[[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 62342165
N-[[6-(ethylaminomethyl)-1,2,4,5-tetrazin-3-yl]methyl]ethanamine
CID 71476444

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine (CID 65159675) is N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is CCNCc1noc(C2C(C)OC(C)C2C)n1.
What is the InChIKey of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
The InChIKey is OOJXPUDVJNVXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-5-13-6-10-14-12(17-15-10)11-7(2)8(3)16-9(11)4/h7-9,11,13H,5-6H2,1-4H3.
What are the key properties of N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine?
N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine has a molecular weight of 239.32 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,4,5-trimethyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]ethanamine is sourced from PubChem (CID 65159675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).