2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine

C9H17N3O2 — CID 79201638

IUPAC2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNCCc1nc(C(C)(C)OC)no1
InChIInChI=1S/C9H17N3O2/c1-9(2,13-4)8-11-7(14-12-8)5-6-10-3/h10H,5-6H2,1-4H3
InChIKeyVKMYJESMAJLRDS-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.71
Rot. Bonds5

About 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine

2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (PubChem CID 79201638) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
PubChem CID79201638
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine
SMILESCNCCc1nc(C(C)(C)OC)no1
InChIInChI=1S/C9H17N3O2/c1-9(2,13-4)8-11-7(14-12-8)5-6-10-3/h10H,5-6H2,1-4H3
InChIKeyVKMYJESMAJLRDS-UHFFFAOYSA-N
XLogP0.71
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The IUPAC name of 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine (CID 79201638) is 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is CNCCc1nc(C(C)(C)OC)no1.
What is the InChIKey of 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
The InChIKey is VKMYJESMAJLRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-9(2,13-4)8-11-7(14-12-8)5-6-10-3/h10H,5-6H2,1-4H3.
What are the key properties of 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine?
2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine has a molecular weight of 199.25 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylethanamine is sourced from PubChem (CID 79201638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).