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

C16H10BrN3O3S — CID 10431299

IUPAC5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cnco2)c2cc(Br)cnc21
InChIInChI=1S/C16H10BrN3O3S/c17-11-6-13-14(15-8-18-10-23-15)9-20(16(13)19-7-11)24(21,22)12-4-2-1-3-5-12/h1-10H
InChIKeyDKEMOGYBGRMEBQ-UHFFFAOYSA-N
MW404.25 g/mol
LogP3.69
Rot. Bonds3

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

5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole (PubChem CID 10431299) has the molecular formula C16H10BrN3O3S and a molecular weight of 404.25 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
PubChem CID10431299
Molecular FormulaC16H10BrN3O3S
Molecular Weight404.25 g/mol
Exact Mass402.96
IUPAC Name5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
SMILESO=S(=O)(c1ccccc1)n1cc(-c2cnco2)c2cc(Br)cnc21
InChIInChI=1S/C16H10BrN3O3S/c17-11-6-13-14(15-8-18-10-23-15)9-20(16(13)19-7-11)24(21,22)12-4-2-1-3-5-12/h1-10H
InChIKeyDKEMOGYBGRMEBQ-UHFFFAOYSA-N
XLogP3.69
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.25
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The IUPAC name of 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole (CID 10431299) is 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole.
What is the SMILES notation for 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The canonical SMILES for 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole is O=S(=O)(c1ccccc1)n1cc(-c2cnco2)c2cc(Br)cnc21.
What is the InChIKey of 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
The InChIKey is DKEMOGYBGRMEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN3O3S/c17-11-6-13-14(15-8-18-10-23-15)9-20(16(13)19-7-11)24(21,22)12-4-2-1-3-5-12/h1-10H.
What are the key properties of 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole?
5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole has a molecular weight of 404.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole is sourced from PubChem (CID 10431299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).