5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole

C28H19N3O4S — CID 59812062

IUPAC5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cnco2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
InChIInChI=1S/C28H19N3O4S/c32-36(33,22-11-5-2-6-12-22)31-18-25(27-17-29-19-34-27)24-15-20(16-30-28(24)31)23-13-7-8-14-26(23)35-21-9-3-1-4-10-21/h1-19H
InChIKeyUPLIFVUTSNGQBC-UHFFFAOYSA-N
MW493.54 g/mol
LogP6.39
Rot. Bonds6

About 5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole

5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole (PubChem CID 59812062) has the molecular formula C28H19N3O4S and a molecular weight of 493.54 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
PubChem CID59812062
Molecular FormulaC28H19N3O4S
Molecular Weight493.54 g/mol
Exact Mass493.11
IUPAC Name5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cnco2)c2cc(-c3ccccc3Oc3ccccc3)cnc21
InChIInChI=1S/C28H19N3O4S/c32-36(33,22-11-5-2-6-12-22)31-18-25(27-17-29-19-34-27)24-15-20(16-30-28(24)31)23-13-7-8-14-26(23)35-21-9-3-1-4-10-21/h1-19H
InChIKeyUPLIFVUTSNGQBC-UHFFFAOYSA-N
XLogP6.39
TPSA87.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.54
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-pyridin-4-ylpyrrolo[2,3-b]pyridine
CID 140510966
1-(benzenesulfonyl)-5-(2-phenoxyphenyl)-3-[4-(trifluoromethoxy)phenyl]pyrrolo[2,3-b]pyridine
CID 140510968
1-(benzenesulfonyl)-5-(2,4-difluorophenyl)-3-(1-methylpyrrol-3-yl)pyrrolo[2,3-b]pyridine;5-[1-(benzenesulfonyl)-5-(2,4-difluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-thiazole;5-[1-(benzenesulfonyl)-5-(2-fluorophenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole;tert-butyl-dimethyl-[3-(1,3-oxazol-5-yl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-λ4-sulfane
CID 158719129
1-(benzenesulfonyl)-5-(2-methoxyphenyl)-3-phenylpyrrolo[2,3-b]pyridine
CID 90239025
1-(benzenesulfonyl)-3-(furan-3-yl)-5-pyridin-2-ylpyrrolo[2,3-b]pyridine
CID 59812133
1-(benzenesulfonyl)-3-(furan-3-yl)-5-(2-phenoxy-3-pyridinyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(2-pyrimidin-2-yloxyphenyl)pyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-3-(furan-3-yl)-5-(1H-1,2,4-triazol-5-yl)pyrrolo[2,3-b]pyridine;[3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane
CID 157404615
1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)-5-(3,3,5-trimethylcyclohexen-1-yl)pyrrolo[2,3-b]pyridine
CID 59238688
3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-5-thiophen-3-ylpyrrolo[2,3-b]pyridine
CID 90226259
ethyl 5-[3-(2-methoxyphenyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxylate
CID 59699900
4-[1-(benzenesulfonyl)-5-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)pyrrolo[2,3-b]pyridin-3-yl]-2-(1-methylpyrrolidin-2-yl)-1,3-thiazole
CID 59239682
3-(2-methylphenyl)-5-(2-phenoxyphenyl)-1-phenylsulfanylperoxypyrrolo[2,3-b]pyridine
CID 59812102
CID 158746701
CID 158746701

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole (CID 59812062) is 5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole is O=S(=O)(c1ccccc1)n1cc(-c2cnco2)c2cc(-c3ccccc3Oc3ccccc3)cnc21.
What is the InChIKey of 5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The InChIKey is UPLIFVUTSNGQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19N3O4S/c32-36(33,22-11-5-2-6-12-22)31-18-25(27-17-29-19-34-27)24-15-20(16-30-28(24)31)23-13-7-8-14-26(23)35-21-9-3-1-4-10-21/h1-19H.
What are the key properties of 5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole has a molecular weight of 493.54 g/mol, XLogP of 6.39, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)-5-(2-phenoxyphenyl)pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole is sourced from PubChem (CID 59812062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).