5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine

C10H18N4O2 — CID 106964569

IUPAC5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NC2(C)CCOC2)o1
InChIInChI=1S/C10H18N4O2/c1-7(11-3)8-13-14-9(16-8)12-10(2)4-5-15-6-10/h7,11H,4-6H2,1-3H3,(H,12,14)
InChIKeyJZXUUBXBZKAUIG-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.94
Rot. Bonds4

About 5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine

5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine (PubChem CID 106964569) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
PubChem CID106964569
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine
SMILESCNC(C)c1nnc(NC2(C)CCOC2)o1
InChIInChI=1S/C10H18N4O2/c1-7(11-3)8-13-14-9(16-8)12-10(2)4-5-15-6-10/h7,11H,4-6H2,1-3H3,(H,12,14)
InChIKeyJZXUUBXBZKAUIG-UHFFFAOYSA-N
XLogP0.94
TPSA72.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine (CID 106964569) is 5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine is CNC(C)c1nnc(NC2(C)CCOC2)o1.
What is the InChIKey of 5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine?
The InChIKey is JZXUUBXBZKAUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(11-3)8-13-14-9(16-8)12-10(2)4-5-15-6-10/h7,11H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine?
5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine has a molecular weight of 226.28 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(methylamino)ethyl]-N-(3-methyloxolan-3-yl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106964569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).