2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone

C21H14FNO5S2 — CID 2157225

IUPAC2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
SMILESO=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H14FNO5S2/c22-15-8-10-16(11-9-15)30(25,26)20-21(28-19(23-20)18-7-4-12-27-18)29-13-17(24)14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyZRSPJRJSVGKYDU-UHFFFAOYSA-N
MW443.48 g/mol
LogP4.88
Rot. Bonds7

About 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone

2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone (PubChem CID 2157225) has the molecular formula C21H14FNO5S2 and a molecular weight of 443.48 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
PubChem CID2157225
Molecular FormulaC21H14FNO5S2
Molecular Weight443.48 g/mol
Exact Mass443.03
IUPAC Name2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
SMILESO=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H14FNO5S2/c22-15-8-10-16(11-9-15)30(25,26)20-21(28-19(23-20)18-7-4-12-27-18)29-13-17(24)14-5-2-1-3-6-14/h1-12H,13H2
InChIKeyZRSPJRJSVGKYDU-UHFFFAOYSA-N
XLogP4.88
TPSA90.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
CID 2157069
2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2068282
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole
CID 2157220
2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide
CID 2053030
2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
CID 2053008
N-(2,4-dimethoxyphenyl)-2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
CID 2157203
2-[[4-(benzenesulfonyl)-2-thiophen-2-yl-1,3-oxazol-5-yl]sulfanyl]-1-(4-chlorophenyl)ethanone
CID 4599816
1-[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]piperidine-4-carboxamide
CID 18826419
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 2148054
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 6914906
2-[[4-(benzenesulfonyl)-2-(4-fluorophenyl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 2068269
N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826377

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone?
The IUPAC name of 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone (CID 2157225) is 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone?
The canonical SMILES for 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone is O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone?
The InChIKey is ZRSPJRJSVGKYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO5S2/c22-15-8-10-16(11-9-15)30(25,26)20-21(28-19(23-20)18-7-4-12-27-18)29-13-17(24)14-5-2-1-3-6-14/h1-12H,13H2.
What are the key properties of 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone?
2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone has a molecular weight of 443.48 g/mol, XLogP of 4.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone is sourced from PubChem (CID 2157225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).