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

C17H18F2N2O4 — CID 25459404

IUPAC[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C[C@H](C)O1
InChIInChI=1S/C17H18F2N2O4/c1-10-7-21(8-11(2)24-10)17(22)16-6-13(25-20-16)9-23-12-3-4-14(18)15(19)5-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11+
InChIKeyXQTBLEDMAZFGKX-PHIMTYICSA-N
MW352.34 g/mol
LogP2.78
Rot. Bonds4

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

[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (PubChem CID 25459404) has the molecular formula C17H18F2N2O4 and a molecular weight of 352.34 g/mol. Its IUPAC name is [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
PubChem CID25459404
Molecular FormulaC17H18F2N2O4
Molecular Weight352.34 g/mol
Exact Mass352.12
IUPAC Name[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C[C@H](C)O1
InChIInChI=1S/C17H18F2N2O4/c1-10-7-21(8-11(2)24-10)17(22)16-6-13(25-20-16)9-23-12-3-4-14(18)15(19)5-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11+
InChIKeyXQTBLEDMAZFGKX-PHIMTYICSA-N
XLogP2.78
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.34
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 24790853
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 24793443
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2R)-2-thiophen-2-ylazetidin-1-yl]methanone
CID 95210956
[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]methanone
CID 42415742
azocan-1-yl-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24793926
5-[(3,4-difluorophenoxy)methyl]-N-(1,3-dihydroxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 56758678
(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
(2,6-dimethylmorpholin-4-yl)-(1,3-thiazol-4-yl)methanone
CID 63037738
[1-(3,4-difluorobenzoyl)azetidin-3-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 90513597
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
5-[(3,4-difluorophenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 42101255
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570

Frequently Asked Questions

What is the IUPAC name of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The IUPAC name of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone (CID 25459404) is [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone.
What is the SMILES notation for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The canonical SMILES for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)c(F)c3)on2)C[C@H](C)O1.
What is the InChIKey of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
The InChIKey is XQTBLEDMAZFGKX-PHIMTYICSA-N. The full InChI is InChI=1S/C17H18F2N2O4/c1-10-7-21(8-11(2)24-10)17(22)16-6-13(25-20-16)9-23-12-3-4-14(18)15(19)5-12/h3-6,10-11H,7-9H2,1-2H3/t10-,11+.
What are the key properties of [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone?
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone has a molecular weight of 352.34 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone is sourced from PubChem (CID 25459404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).