[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine

C9H16N4O2 — CID 106965911

IUPAC[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESC[C@@H]1CN(c2nnc(CN)o2)C[C@H](C)O1
InChIInChI=1S/C9H16N4O2/c1-6-4-13(5-7(2)14-6)9-12-11-8(3-10)15-9/h6-7H,3-5,10H2,1-2H3/t6-,7+
InChIKeyDALGEPNCAJYPAG-KNVOCYPGSA-N
MW212.25 g/mol
LogP0.14
Rot. Bonds2

About [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine

[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 106965911) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID106965911
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine
SMILESC[C@@H]1CN(c2nnc(CN)o2)C[C@H](C)O1
InChIInChI=1S/C9H16N4O2/c1-6-4-13(5-7(2)14-6)9-12-11-8(3-10)15-9/h6-7H,3-5,10H2,1-2H3/t6-,7+
InChIKeyDALGEPNCAJYPAG-KNVOCYPGSA-N
XLogP0.14
TPSA77.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine (CID 106965911) is [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine is C[C@@H]1CN(c2nnc(CN)o2)C[C@H](C)O1.
What is the InChIKey of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is DALGEPNCAJYPAG-KNVOCYPGSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-6-4-13(5-7(2)14-6)9-12-11-8(3-10)15-9/h6-7H,3-5,10H2,1-2H3/t6-,7+.
What are the key properties of [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine?
[5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 212.25 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 106965911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).