4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine

C16H14FN3O4S2 — CID 53126936

IUPAC4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1cc(-c2nc(-c3cccc(F)c3)no2)cs1)N1CCOCC1
InChIInChI=1S/C16H14FN3O4S2/c17-13-3-1-2-11(8-13)15-18-16(24-19-15)12-9-14(25-10-12)26(21,22)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2
InChIKeyQOMYZSXCGHLNFG-UHFFFAOYSA-N
MW395.44 g/mol
LogP2.63
Rot. Bonds4

About 4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine

4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine (PubChem CID 53126936) has the molecular formula C16H14FN3O4S2 and a molecular weight of 395.44 g/mol. Its IUPAC name is 4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine
PubChem CID53126936
Molecular FormulaC16H14FN3O4S2
Molecular Weight395.44 g/mol
Exact Mass395.04
IUPAC Name4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine
SMILESO=S(=O)(c1cc(-c2nc(-c3cccc(F)c3)no2)cs1)N1CCOCC1
InChIInChI=1S/C16H14FN3O4S2/c17-13-3-1-2-11(8-13)15-18-16(24-19-15)12-9-14(25-10-12)26(21,22)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2
InChIKeyQOMYZSXCGHLNFG-UHFFFAOYSA-N
XLogP2.63
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-fluorophenyl)-5-(5-pyrrolidin-1-ylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 53126884
3-(3-fluorophenyl)-5-[5-[[(2S)-2-methyl-2,3-dihydroindol-1-yl]sulfonyl]thiophen-3-yl]-1,2,4-oxadiazole
CID 95092100
N-cyclopentyl-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126864
4-[4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine;hydrochloride
CID 120960094
4-[[2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3-methyl-1-benzofuran-5-yl]sulfonyl]morpholine
CID 53082444
3-(3-fluorophenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 139220637
4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53126909
3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 99705057
4-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonylmorpholine
CID 53042642
1-[4-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 53042904
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53043034
4-[5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]furan-2-yl]sulfonylmorpholine
CID 45492959

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine?
The IUPAC name of 4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine (CID 53126936) is 4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine?
The canonical SMILES for 4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine is O=S(=O)(c1cc(-c2nc(-c3cccc(F)c3)no2)cs1)N1CCOCC1.
What is the InChIKey of 4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine?
The InChIKey is QOMYZSXCGHLNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O4S2/c17-13-3-1-2-11(8-13)15-18-16(24-19-15)12-9-14(25-10-12)26(21,22)20-4-6-23-7-5-20/h1-3,8-10H,4-7H2.
What are the key properties of 4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine?
4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine has a molecular weight of 395.44 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]sulfonylmorpholine is sourced from PubChem (CID 53126936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).