3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole

C17H18FN3O3S — CID 22022987

IUPAC3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole
SMILESFc1cc(C2=NOC(COc3ccon3)C2)ccc1N1CCSCC1
InChIInChI=1S/C17H18FN3O3S/c18-14-9-12(1-2-16(14)21-4-7-25-8-5-21)15-10-13(24-19-15)11-22-17-3-6-23-20-17/h1-3,6,9,13H,4-5,7-8,10-11H2
InChIKeyIUFBJXGNHLUMLW-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.94
Rot. Bonds5

About 3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole

3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole (PubChem CID 22022987) has the molecular formula C17H18FN3O3S and a molecular weight of 363.41 g/mol. Its IUPAC name is 3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole
PubChem CID22022987
Molecular FormulaC17H18FN3O3S
Molecular Weight363.41 g/mol
Exact Mass363.11
IUPAC Name3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole
SMILESFc1cc(C2=NOC(COc3ccon3)C2)ccc1N1CCSCC1
InChIInChI=1S/C17H18FN3O3S/c18-14-9-12(1-2-16(14)21-4-7-25-8-5-21)15-10-13(24-19-15)11-22-17-3-6-23-20-17/h1-3,6,9,13H,4-5,7-8,10-11H2
InChIKeyIUFBJXGNHLUMLW-UHFFFAOYSA-N
XLogP2.94
TPSA60.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole?
The IUPAC name of 3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole (CID 22022987) is 3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole.
What is the SMILES notation for 3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole?
The canonical SMILES for 3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole is Fc1cc(C2=NOC(COc3ccon3)C2)ccc1N1CCSCC1.
What is the InChIKey of 3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole?
The InChIKey is IUFBJXGNHLUMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3S/c18-14-9-12(1-2-16(14)21-4-7-25-8-5-21)15-10-13(24-19-15)11-22-17-3-6-23-20-17/h1-3,6,9,13H,4-5,7-8,10-11H2.
What are the key properties of 3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole?
3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole has a molecular weight of 363.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole is sourced from PubChem (CID 22022987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).