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

C18H20FN3O3S — CID 22022961

IUPAC3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole
SMILESCC(Oc1ccon1)C1CC(c2ccc(N3CCSCC3)c(F)c2)=NO1
InChIInChI=1S/C18H20FN3O3S/c1-12(24-18-4-7-23-21-18)17-11-15(20-25-17)13-2-3-16(14(19)10-13)22-5-8-26-9-6-22/h2-4,7,10,12,17H,5-6,8-9,11H2,1H3
InChIKeyZWLUXCDMZGBFMP-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.33
Rot. Bonds5

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

3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole (PubChem CID 22022961) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole.

Molecular Properties

Compound Name3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole
PubChem CID22022961
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole
SMILESCC(Oc1ccon1)C1CC(c2ccc(N3CCSCC3)c(F)c2)=NO1
InChIInChI=1S/C18H20FN3O3S/c1-12(24-18-4-7-23-21-18)17-11-15(20-25-17)13-2-3-16(14(19)10-13)22-5-8-26-9-6-22/h2-4,7,10,12,17H,5-6,8-9,11H2,1H3
InChIKeyZWLUXCDMZGBFMP-UHFFFAOYSA-N
XLogP3.33
TPSA60.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole with MolForge

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Related Compounds

(5R)-3-[4-(3,6-dihydro-2H-pyran-4-yl)-3-fluoro-phenyl]-5-(isoxazol-3-yloxymethyl)oxazolidin-2-one
CID 497377
(5RS)-3-(3-Fluoro-4-morpholin-4-ylphenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole
CID 17948115
(5R)-3-[3-fluoro-4-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356667
(5RS)-3-(3-Fluoro-4-(4-(2-acetoxyacetyl)piperazin-1-yl)phenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole
CID 22022958
(5RS)-3-(3-Fluoro-4-(1-oxothiomorpholin-4-yl)phenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole
CID 22022962
Methyl 4-[2-fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazine-1-carboxylate
CID 22022963
4-[2-Fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]-1,4-thiazinane 1,1-dioxide
CID 22022965
3-[[3-[3-Fluoro-4-(4-methylsulfonylpiperazin-1-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole
CID 22022976
(5RS)-3-(3-Fluoro-4-piperazin-1-ylphenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole
CID 22022977
(5RS)-3-(3-Fluoro-4-thiomorpholin-4-ylphenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole
CID 22022987
1-[4-[2-Fluoro-4-[5-(1,2-oxazol-3-yloxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]phenyl]piperazin-1-yl]ethanone
CID 22022988
(5RS)-3-(3-Fluoro-4-(4-(2-hydroxyacetyl)piperazin-1-yl)phenyl)-5-isoxazol-3-yloxymethyl-4,5-dihydroisoxazole
CID 22022996

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole?
The IUPAC name of 3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole (CID 22022961) is 3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole.
What is the SMILES notation for 3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole?
The canonical SMILES for 3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole is CC(Oc1ccon1)C1CC(c2ccc(N3CCSCC3)c(F)c2)=NO1.
What is the InChIKey of 3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole?
The InChIKey is ZWLUXCDMZGBFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c1-12(24-18-4-7-23-21-18)17-11-15(20-25-17)13-2-3-16(14(19)10-13)22-5-8-26-9-6-22/h2-4,7,10,12,17H,5-6,8-9,11H2,1H3.
What are the key properties of 3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole?
3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole has a molecular weight of 377.44 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole is sourced from PubChem (CID 22022961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).