1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone

C12H8BrN3O2 — CID 70343820

IUPAC1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone
SMILESCC(=O)n1cc(-c2cnco2)c2cc(Br)cnc21
InChIInChI=1S/C12H8BrN3O2/c1-7(17)16-5-10(11-4-14-6-18-11)9-2-8(13)3-15-12(9)16/h2-6H,1H3
InChIKeyANTLVFVLDXPOKC-UHFFFAOYSA-N
MW306.12 g/mol
LogP3.11
Rot. Bonds1

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

1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone (PubChem CID 70343820) has the molecular formula C12H8BrN3O2 and a molecular weight of 306.12 g/mol. Its IUPAC name is 1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone
PubChem CID70343820
Molecular FormulaC12H8BrN3O2
Molecular Weight306.12 g/mol
Exact Mass304.98
IUPAC Name1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone
SMILESCC(=O)n1cc(-c2cnco2)c2cc(Br)cnc21
InChIInChI=1S/C12H8BrN3O2/c1-7(17)16-5-10(11-4-14-6-18-11)9-2-8(13)3-15-12(9)16/h2-6H,1H3
InChIKeyANTLVFVLDXPOKC-UHFFFAOYSA-N
XLogP3.11
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.12
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone?
The IUPAC name of 1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone (CID 70343820) is 1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone?
The canonical SMILES for 1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone is CC(=O)n1cc(-c2cnco2)c2cc(Br)cnc21.
What is the InChIKey of 1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone?
The InChIKey is ANTLVFVLDXPOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3O2/c1-7(17)16-5-10(11-4-14-6-18-11)9-2-8(13)3-15-12(9)16/h2-6H,1H3.
What are the key properties of 1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone?
1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone has a molecular weight of 306.12 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-bromo-3-(1,3-oxazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]ethanone is sourced from PubChem (CID 70343820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).