[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone

C18H19F3N2O4 — CID 24793039

IUPAC[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)C[C@H](C)O1
InChIInChI=1S/C18H19F3N2O4/c1-11-8-23(9-12(2)26-11)17(24)16-7-15(27-22-16)10-25-14-5-3-4-13(6-14)18(19,20)21/h3-7,11-12H,8-10H2,1-2H3/t11-,12+
InChIKeyPAJBPTNOBWKXDB-TXEJJXNPSA-N
MW384.35 g/mol
LogP3.52
Rot. Bonds4

About [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 24793039) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
PubChem CID24793039
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)C[C@H](C)O1
InChIInChI=1S/C18H19F3N2O4/c1-11-8-23(9-12(2)26-11)17(24)16-7-15(27-22-16)10-25-14-5-3-4-13(6-14)18(19,20)21/h3-7,11-12H,8-10H2,1-2H3/t11-,12+
InChIKeyPAJBPTNOBWKXDB-TXEJJXNPSA-N
XLogP3.52
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone (CID 24793039) is [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is C[C@@H]1CN(C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)C[C@H](C)O1.
What is the InChIKey of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is PAJBPTNOBWKXDB-TXEJJXNPSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-11-8-23(9-12(2)26-11)17(24)16-7-15(27-22-16)10-25-14-5-3-4-13(6-14)18(19,20)21/h3-7,11-12H,8-10H2,1-2H3/t11-,12+.
What are the key properties of [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone?
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 384.35 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2,6-dimethylmorpholin-4-yl]-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 24793039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).