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

C10H17N3O2 — CID 115078191

IUPACN-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNC(C)c1noc(CC2CCCO2)n1
InChIInChI=1S/C10H17N3O2/c1-7(11-2)10-12-9(15-13-10)6-8-4-3-5-14-8/h7-8,11H,3-6H2,1-2H3
InChIKeyZARGLCXQZXMROQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.07
Rot. Bonds4

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

N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine (PubChem CID 115078191) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
PubChem CID115078191
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
SMILESCNC(C)c1noc(CC2CCCO2)n1
InChIInChI=1S/C10H17N3O2/c1-7(11-2)10-12-9(15-13-10)6-8-4-3-5-14-8/h7-8,11H,3-6H2,1-2H3
InChIKeyZARGLCXQZXMROQ-UHFFFAOYSA-N
XLogP1.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241
2-ethoxy-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634060
3-(chloromethyl)-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 65155797
5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 65159319
3-bromo-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 112571580
N-methyl-1-[2-(oxan-2-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115086199
N,3,3-trimethyl-1-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63347559
2-[3-[1-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 115076915
1-methoxy-N-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63347046
N,4-dimethyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63347217
N-(oxolan-2-ylmethyl)-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]cyclopentanamine
CID 127377767
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096278

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine (CID 115078191) is N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine is CNC(C)c1noc(CC2CCCO2)n1.
What is the InChIKey of N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
The InChIKey is ZARGLCXQZXMROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7(11-2)10-12-9(15-13-10)6-8-4-3-5-14-8/h7-8,11H,3-6H2,1-2H3.
What are the key properties of N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine?
N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine has a molecular weight of 211.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanamine is sourced from PubChem (CID 115078191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).