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

C10H17N3O2 — CID 104960889

IUPAC[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine
SMILESC[C@@H]1CN(c2nc(CN)co2)C[C@H](C)O1
InChIInChI=1S/C10H17N3O2/c1-7-4-13(5-8(2)15-7)10-12-9(3-11)6-14-10/h6-8H,3-5,11H2,1-2H3/t7-,8+
InChIKeyQDIYJODYUMYFRG-OCAPTIKFSA-N
MW211.26 g/mol
LogP0.75
Rot. Bonds2

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

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine (PubChem CID 104960889) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine
PubChem CID104960889
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine
SMILESC[C@@H]1CN(c2nc(CN)co2)C[C@H](C)O1
InChIInChI=1S/C10H17N3O2/c1-7-4-13(5-8(2)15-7)10-12-9(3-11)6-14-10/h6-8H,3-5,11H2,1-2H3/t7-,8+
InChIKeyQDIYJODYUMYFRG-OCAPTIKFSA-N
XLogP0.75
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine (CID 104960889) is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine is C[C@@H]1CN(c2nc(CN)co2)C[C@H](C)O1.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine?
The InChIKey is QDIYJODYUMYFRG-OCAPTIKFSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-4-13(5-8(2)15-7)10-12-9(3-11)6-14-10/h6-8H,3-5,11H2,1-2H3/t7-,8+.
What are the key properties of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine?
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine has a molecular weight of 211.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 104960889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).