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

C17H21FN2O3 — CID 97465305

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C[C@H](C)O1
InChIInChI=1S/C17H21FN2O3/c1-11-9-20(10-12(2)22-11)16(21)17(3)8-15(19-23-17)13-6-4-5-7-14(13)18/h4-7,11-12H,8-10H2,1-3H3/t11-,12+,17-/m0/s1
InChIKeyLTTBCGVBZCGEBS-JKDFXYPNSA-N
MW320.36 g/mol
LogP2.34
Rot. Bonds2

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

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone (PubChem CID 97465305) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
PubChem CID97465305
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
SMILESC[C@@H]1CN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C[C@H](C)O1
InChIInChI=1S/C17H21FN2O3/c1-11-9-20(10-12(2)22-11)16(21)17(3)8-15(19-23-17)13-6-4-5-7-14(13)18/h4-7,11-12H,8-10H2,1-3H3/t11-,12+,17-/m0/s1
InChIKeyLTTBCGVBZCGEBS-JKDFXYPNSA-N
XLogP2.34
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465298
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 100815735
(2,6-dimethylmorpholin-4-yl)-[3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 102551802
(4-ethylpiperazin-1-yl)-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465423
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 98882327
3-(2-cyclopropylphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725051
(5R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465267
(5R)-3-(2-fluorophenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465304
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732
[3-(2-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(2-methylpiperidin-1-yl)methanone
CID 91946054
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
(5R)-3-(2-fluorophenyl)-5-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]-4H-1,2-oxazole-5-carboxamide
CID 51498730

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone (CID 97465305) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone is C[C@@H]1CN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C[C@H](C)O1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The InChIKey is LTTBCGVBZCGEBS-JKDFXYPNSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-11-9-20(10-12(2)22-11)16(21)17(3)8-15(19-23-17)13-6-4-5-7-14(13)18/h4-7,11-12H,8-10H2,1-3H3/t11-,12+,17-/m0/s1.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone has a molecular weight of 320.36 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 97465305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).