6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine

C20H19FN2O4S — CID 108783292

IUPAC6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
SMILESCCOc1ccc(S(=O)(=O)N2CCc3c(noc3-c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H19FN2O4S/c1-2-26-16-7-9-17(10-8-16)28(24,25)23-12-11-18-19(13-23)22-27-20(18)14-3-5-15(21)6-4-14/h3-10H,2,11-13H2,1H3
InChIKeyMUGACPJXQJEZAV-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.63
Rot. Bonds5

About 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine

6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine (PubChem CID 108783292) has the molecular formula C20H19FN2O4S and a molecular weight of 402.45 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
PubChem CID108783292
Molecular FormulaC20H19FN2O4S
Molecular Weight402.45 g/mol
Exact Mass402.10
IUPAC Name6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
SMILESCCOc1ccc(S(=O)(=O)N2CCc3c(noc3-c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C20H19FN2O4S/c1-2-26-16-7-9-17(10-8-16)28(24,25)23-12-11-18-19(13-23)22-27-20(18)14-3-5-15(21)6-4-14/h3-10H,2,11-13H2,1H3
InChIKeyMUGACPJXQJEZAV-UHFFFAOYSA-N
XLogP3.63
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine with MolForge

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Related Compounds

N-[4-[[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]sulfonyl]phenyl]acetamide
CID 108783274
6-cyclopropylsulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine
CID 108783294
N-[4-[[3-(4-fluorophenyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-5-yl]sulfonyl]phenyl]acetamide
CID 108780450
3-[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 53130747
[3-(4-chlorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]-(4-ethoxyphenyl)methanone
CID 108765778
ethyl [4-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine-6-carbonyl]phenyl] carbonate
CID 108765581
2-(3,5-dimethylphenoxy)-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]ethanone
CID 108743352
2-[(3R)-1-(4-ethoxyphenyl)sulfonylpiperidin-3-yl]-5-(4-fluorophenyl)-1,3,4-oxadiazole
CID 99963520
3-(4-fluorophenyl)-5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
CID 108780466
1-[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 4822189
2-(4-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 4820535
2-chloro-1-[3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-6-yl]ethanone
CID 108743296

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine?
The IUPAC name of 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine (CID 108783292) is 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine.
What is the SMILES notation for 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine?
The canonical SMILES for 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine is CCOc1ccc(S(=O)(=O)N2CCc3c(noc3-c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine?
The InChIKey is MUGACPJXQJEZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O4S/c1-2-26-16-7-9-17(10-8-16)28(24,25)23-12-11-18-19(13-23)22-27-20(18)14-3-5-15(21)6-4-14/h3-10H,2,11-13H2,1H3.
What are the key properties of 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine?
6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine has a molecular weight of 402.45 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)sulfonyl-3-(4-fluorophenyl)-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridine is sourced from PubChem (CID 108783292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).