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

C13H14BrN3OSi — CID 58758496

IUPAC[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane
SMILESC[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1cnco1
InChIInChI=1S/C13H14BrN3OSi/c1-19(2,3)13-11(10-6-15-7-18-10)9-4-8(14)5-16-12(9)17-13/h4-7H,1-3H3,(H,16,17)
InChIKeyMBDKQYMAWBBARX-UHFFFAOYSA-N
MW336.27 g/mol
LogP3.53
Rot. Bonds2

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

[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane (PubChem CID 58758496) has the molecular formula C13H14BrN3OSi and a molecular weight of 336.27 g/mol. Its IUPAC name is [5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane
PubChem CID58758496
Molecular FormulaC13H14BrN3OSi
Molecular Weight336.27 g/mol
Exact Mass335.01
IUPAC Name[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane
SMILESC[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1cnco1
InChIInChI=1S/C13H14BrN3OSi/c1-19(2,3)13-11(10-6-15-7-18-10)9-4-8(14)5-16-12(9)17-13/h4-7H,1-3H3,(H,16,17)
InChIKeyMBDKQYMAWBBARX-UHFFFAOYSA-N
XLogP3.53
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane with MolForge

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

Launch Full Analysis

Related Compounds

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-iodo-1,3-oxazole
CID 155227524
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
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-(5-oxazolyl)-1-(phenylsulfonyl)-
CID 10431299
1H-Pyrrolo[2,3-b]pyridine-1-carboxamide, 5-bromo-N,N-dimethyl-3-(5-oxazolyl)-
CID 11724479
2-ethyl-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
CID 59362656
1-[2-[3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]ethanone
CID 59811903
1H-Pyrrolo[2,3-b]pyridine, 5-bromo-3-(5-oxazolyl)-
CID 59811938
5-[5-(2-ethenylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1,3-oxazole
CID 59812030

Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane?
The IUPAC name of [5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane (CID 58758496) is [5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane.
What is the SMILES notation for [5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane?
The canonical SMILES for [5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane is C[Si](C)(C)c1[nH]c2ncc(Br)cc2c1-c1cnco1.
What is the InChIKey of [5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane?
The InChIKey is MBDKQYMAWBBARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3OSi/c1-19(2,3)13-11(10-6-15-7-18-10)9-4-8(14)5-16-12(9)17-13/h4-7H,1-3H3,(H,16,17).
What are the key properties of [5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane?
[5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane has a molecular weight of 336.27 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-trimethylsilane is sourced from PubChem (CID 58758496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).