5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide

C13H11BrN4O2 — CID 11724479

IUPAC5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)cnc21
InChIInChI=1S/C13H11BrN4O2/c1-17(2)13(19)18-6-10(11-5-15-7-20-11)9-3-8(14)4-16-12(9)18/h3-7H,1-2H3
InChIKeyAACCOWRWKRNKHE-UHFFFAOYSA-N
MW335.16 g/mol
LogP2.98
Rot. Bonds1

About 5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide

5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 11724479) has the molecular formula C13H11BrN4O2 and a molecular weight of 335.16 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide
PubChem CID11724479
Molecular FormulaC13H11BrN4O2
Molecular Weight335.16 g/mol
Exact Mass334.01
IUPAC Name5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide
SMILESCN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)cnc21
InChIInChI=1S/C13H11BrN4O2/c1-17(2)13(19)18-6-10(11-5-15-7-20-11)9-3-8(14)4-16-12(9)18/h3-7H,1-2H3
InChIKeyAACCOWRWKRNKHE-UHFFFAOYSA-N
XLogP2.98
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.16
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide?
The IUPAC name of 5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide (CID 11724479) is 5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide.
What is the SMILES notation for 5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide?
The canonical SMILES for 5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide is CN(C)C(=O)n1cc(-c2cnco2)c2cc(Br)cnc21.
What is the InChIKey of 5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide?
The InChIKey is AACCOWRWKRNKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O2/c1-17(2)13(19)18-6-10(11-5-15-7-20-11)9-3-8(14)4-16-12(9)18/h3-7H,1-2H3.
What are the key properties of 5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide?
5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 335.16 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 11724479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).