5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole

C10H6BrN3O — CID 59811938

IUPAC5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
SMILESBrc1cnc2[nH]cc(-c3cnco3)c2c1
InChIInChI=1S/C10H6BrN3O/c11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6/h1-5H,(H,13,14)
InChIKeyRLDDZKWJCWFAHH-UHFFFAOYSA-N
MW264.08 g/mol
LogP2.98
Rot. Bonds1

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

5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (PubChem CID 59811938) has the molecular formula C10H6BrN3O and a molecular weight of 264.08 g/mol. Its IUPAC name is 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
PubChem CID59811938
Molecular FormulaC10H6BrN3O
Molecular Weight264.08 g/mol
Exact Mass262.97
IUPAC Name5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
SMILESBrc1cnc2[nH]cc(-c3cnco3)c2c1
InChIInChI=1S/C10H6BrN3O/c11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6/h1-5H,(H,13,14)
InChIKeyRLDDZKWJCWFAHH-UHFFFAOYSA-N
XLogP2.98
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.08
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,6-difluorophenyl)-[5-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 141301533
4-bromo-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
CID 155227522
5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 155227523
5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-iodo-1,3-oxazole
CID 155227524
4-(difluoromethyl)-5-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
CID 155227530
5-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 155227533
4-(difluoromethyl)-5-(5-ethynyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
CID 155236733
3-(4-bromo-1,3-oxazol-5-yl)-5-fluoro-N,N-dimethylpyrrolo[2,3-b]pyridine-1-sulfonamide
CID 155236749
5-fluoro-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-sulfonamide
CID 155236773
CID 163989195
CID 163989195
5-bromo-N,N-dimethyl-3-(4-methyl-1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide
CID 9997933
3-Oxazol-5-yl-5-(2-phenoxy-phenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10043640

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The IUPAC name of 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (CID 59811938) is 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.
What is the SMILES notation for 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The canonical SMILES for 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is Brc1cnc2[nH]cc(-c3cnco3)c2c1.
What is the InChIKey of 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The InChIKey is RLDDZKWJCWFAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O/c11-6-1-7-8(9-4-12-5-15-9)3-14-10(7)13-2-6/h1-5H,(H,13,14).
What are the key properties of 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole has a molecular weight of 264.08 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is sourced from PubChem (CID 59811938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).