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

C18H24N2O4 — CID 98882327

IUPAC[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
SMILESCOc1ccc(C2=NO[C@@](C)(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)cc1
InChIInChI=1S/C18H24N2O4/c1-12-10-20(11-13(2)23-12)17(21)18(3)9-16(19-24-18)14-5-7-15(22-4)8-6-14/h5-8,12-13H,9-11H2,1-4H3/t12-,13+,18-/m1/s1
InChIKeyIIWDXNOPUXDFJS-FHSNZYRGSA-N
MW332.40 g/mol
LogP2.21
Rot. Bonds3

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

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone (PubChem CID 98882327) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
PubChem CID98882327
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
SMILESCOc1ccc(C2=NO[C@@](C)(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)cc1
InChIInChI=1S/C18H24N2O4/c1-12-10-20(11-13(2)23-12)17(21)18(3)9-16(19-24-18)14-5-7-15(22-4)8-6-14/h5-8,12-13H,9-11H2,1-4H3/t12-,13+,18-/m1/s1
InChIKeyIIWDXNOPUXDFJS-FHSNZYRGSA-N
XLogP2.21
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(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
[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 97465571
[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 91946028
[(5S)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 97465565
(4-ethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 91946021
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5S)-3-(2-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 97465305
[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]-[4-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperazin-1-yl]methanone
CID 91946634
azepan-1-yl-[3-(4-chlorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 171133409
3-(3,5-dimethoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxylic acid
CID 102725076
azepan-1-yl-[(5R)-5-methyl-3-phenyl-4H-1,2-oxazol-5-yl]methanone
CID 97465776
[(5S)-3-(4-fluorophenyl)-5-methyl-4H-1,2-oxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 100815726

Frequently Asked Questions

What is the IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The IUPAC name of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone (CID 98882327) is [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone is COc1ccc(C2=NO[C@@](C)(C(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)cc1.
What is the InChIKey of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
The InChIKey is IIWDXNOPUXDFJS-FHSNZYRGSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-12-10-20(11-13(2)23-12)17(21)18(3)9-16(19-24-18)14-5-7-15(22-4)8-6-14/h5-8,12-13H,9-11H2,1-4H3/t12-,13+,18-/m1/s1.
What are the key properties of [(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone?
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone has a molecular weight of 332.40 g/mol, XLogP of 2.21, 3 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]-[(5R)-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 98882327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).