4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole

C21H16FNO4S2 — CID 2157220

IUPAC4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole
SMILESC[C@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H16FNO4S2/c1-14(15-6-3-2-4-7-15)28-21-20(23-19(27-21)18-8-5-13-26-18)29(24,25)17-11-9-16(22)10-12-17/h2-14H,1H3/t14-/m0/s1
InChIKeyIGIUYSNXNYSPMD-AWEZNQCLSA-N
MW429.49 g/mol
LogP5.76
Rot. Bonds6

About 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole

4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole (PubChem CID 2157220) has the molecular formula C21H16FNO4S2 and a molecular weight of 429.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole
PubChem CID2157220
Molecular FormulaC21H16FNO4S2
Molecular Weight429.49 g/mol
Exact Mass429.05
IUPAC Name4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole
SMILESC[C@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C21H16FNO4S2/c1-14(15-6-3-2-4-7-15)28-21-20(23-19(27-21)18-8-5-13-26-18)29(24,25)17-11-9-16(22)10-12-17/h2-14H,1H3/t14-/m0/s1
InChIKeyIGIUYSNXNYSPMD-AWEZNQCLSA-N
XLogP5.76
TPSA73.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.49
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-1-phenylethanone
CID 2157225
5-[(2R)-butan-2-yl]sulfanyl-4-(4-fluorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2156995
N-(4-fluorophenyl)-2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-amine
CID 18826377
N-(4-chlorophenyl)-4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-amine
CID 18826417
2-[[2-(furan-2-yl)-4-(4-methylphenyl)sulfonyl-1,3-oxazol-5-yl]sulfanyl]acetamide
CID 2053008
2-[[4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2068282
5-butan-2-ylsulfanyl-4-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)-1,3-oxazole
CID 18553442
2-[[4-(4-bromophenyl)sulfonyl-2-(furan-2-yl)-1,3-oxazol-5-yl]sulfanyl]acetamide
CID 2053030
5-[(2S)-butan-2-yl]sulfanyl-4-(4-chlorophenyl)sulfonyl-2-phenyl-1,3-oxazole
CID 2157014
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-oxazol-5-amine
CID 2148054
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-(oxolan-2-ylmethyl)-1,3-oxazol-5-amine
CID 6914906

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole?
The IUPAC name of 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole (CID 2157220) is 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole is C[C@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole?
The InChIKey is IGIUYSNXNYSPMD-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H16FNO4S2/c1-14(15-6-3-2-4-7-15)28-21-20(23-19(27-21)18-8-5-13-26-18)29(24,25)17-11-9-16(22)10-12-17/h2-14H,1H3/t14-/m0/s1.
What are the key properties of 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole?
4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole has a molecular weight of 429.49 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyl-2-(furan-2-yl)-5-[(1S)-1-phenylethyl]sulfanyl-1,3-oxazole is sourced from PubChem (CID 2157220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).