(2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine

C16H19FN2O2 — CID 94066350

IUPAC(2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine
SMILESC[C@@H]1CO[C@@H](C)CN1Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H19FN2O2/c1-11-9-20-12(2)7-19(11)8-15-10-21-16(18-15)13-4-3-5-14(17)6-13/h3-6,10-12H,7-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyPBOJETQVFFOIHM-NEPJUHHUSA-N
MW290.34 g/mol
LogP3.09
Rot. Bonds3

About (2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine

(2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine (PubChem CID 94066350) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is (2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine.

Molecular Properties

Compound Name(2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine
PubChem CID94066350
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name(2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine
SMILESC[C@@H]1CO[C@@H](C)CN1Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H19FN2O2/c1-11-9-20-12(2)7-19(11)8-15-10-21-16(18-15)13-4-3-5-14(17)6-13/h3-6,10-12H,7-9H2,1-2H3/t11-,12+/m1/s1
InChIKeyPBOJETQVFFOIHM-NEPJUHHUSA-N
XLogP3.09
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine?
The IUPAC name of (2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine (CID 94066350) is (2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine.
What is the SMILES notation for (2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine?
The canonical SMILES for (2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine is C[C@@H]1CO[C@@H](C)CN1Cc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of (2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine?
The InChIKey is PBOJETQVFFOIHM-NEPJUHHUSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-11-9-20-12(2)7-19(11)8-15-10-21-16(18-15)13-4-3-5-14(17)6-13/h3-6,10-12H,7-9H2,1-2H3/t11-,12+/m1/s1.
What are the key properties of (2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine?
(2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine has a molecular weight of 290.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2,5-dimethylmorpholine is sourced from PubChem (CID 94066350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).