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

C17H19FN2O4 — CID 26408845

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2coc(COc3cccc(F)c3)n2)C[C@H](C)O1
InChIInChI=1S/C17H19FN2O4/c1-11-7-20(8-12(2)24-11)17(21)15-9-23-16(19-15)10-22-14-5-3-4-13(18)6-14/h3-6,9,11-12H,7-8,10H2,1-2H3/t11-,12+
InChIKeyXZSDFWNALKKRIG-TXEJJXNPSA-N
MW334.35 g/mol
LogP2.64
Rot. Bonds4

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

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone (PubChem CID 26408845) has the molecular formula C17H19FN2O4 and a molecular weight of 334.35 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
PubChem CID26408845
Molecular FormulaC17H19FN2O4
Molecular Weight334.35 g/mol
Exact Mass334.13
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2coc(COc3cccc(F)c3)n2)C[C@H](C)O1
InChIInChI=1S/C17H19FN2O4/c1-11-7-20(8-12(2)24-11)17(21)15-9-23-16(19-15)10-22-14-5-3-4-13(18)6-14/h3-6,9,11-12H,7-8,10H2,1-2H3/t11-,12+
InChIKeyXZSDFWNALKKRIG-TXEJJXNPSA-N
XLogP2.64
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone (CID 26408845) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone is C[C@@H]1CN(C(=O)c2coc(COc3cccc(F)c3)n2)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone?
The InChIKey is XZSDFWNALKKRIG-TXEJJXNPSA-N. The full InChI is InChI=1S/C17H19FN2O4/c1-11-7-20(8-12(2)24-11)17(21)15-9-23-16(19-15)10-22-14-5-3-4-13(18)6-14/h3-6,9,11-12H,7-8,10H2,1-2H3/t11-,12+.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone has a molecular weight of 334.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl]methanone is sourced from PubChem (CID 26408845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).