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

C18H20FN3O3S — CID 90821287

IUPAC3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole
SMILESFc1cc(C2=CC(CCOc3ccon3)ON2)ccc1N1CCSCC1
InChIInChI=1S/C18H20FN3O3S/c19-15-11-13(1-2-17(15)22-5-9-26-10-6-22)16-12-14(25-20-16)3-7-23-18-4-8-24-21-18/h1-2,4,8,11-12,14,20H,3,5-7,9-10H2
InChIKeyCRSQUFQBQPSALS-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.08
Rot. Bonds6

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

3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole (PubChem CID 90821287) has the molecular formula C18H20FN3O3S and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole
PubChem CID90821287
Molecular FormulaC18H20FN3O3S
Molecular Weight377.44 g/mol
Exact Mass377.12
IUPAC Name3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole
SMILESFc1cc(C2=CC(CCOc3ccon3)ON2)ccc1N1CCSCC1
InChIInChI=1S/C18H20FN3O3S/c19-15-11-13(1-2-17(15)22-5-9-26-10-6-22)16-12-14(25-20-16)3-7-23-18-4-8-24-21-18/h1-2,4,8,11-12,14,20H,3,5-7,9-10H2
InChIKeyCRSQUFQBQPSALS-UHFFFAOYSA-N
XLogP3.08
TPSA59.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole?
The IUPAC name of 3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole (CID 90821287) is 3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole.
What is the SMILES notation for 3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole?
The canonical SMILES for 3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole is Fc1cc(C2=CC(CCOc3ccon3)ON2)ccc1N1CCSCC1.
What is the InChIKey of 3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole?
The InChIKey is CRSQUFQBQPSALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3S/c19-15-11-13(1-2-17(15)22-5-9-26-10-6-22)16-12-14(25-20-16)3-7-23-18-4-8-24-21-18/h1-2,4,8,11-12,14,20H,3,5-7,9-10H2.
What are the key properties of 3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole?
3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole has a molecular weight of 377.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[3-(3-fluoro-4-thiomorpholin-4-ylphenyl)-2,5-dihydro-1,2-oxazol-5-yl]ethoxy]-1,2-oxazole is sourced from PubChem (CID 90821287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).