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

C14H9N3OS — CID 10423093

IUPAC2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
SMILESc1csc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c1
InChIInChI=1S/C14H9N3OS/c1-2-12(19-5-1)9-6-10-11(14-15-3-4-18-14)8-17-13(10)16-7-9/h1-8H,(H,16,17)
InChIKeyYCORPMUBNBJJMR-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.95
Rot. Bonds2

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

2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (PubChem CID 10423093) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
PubChem CID10423093
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole
SMILESc1csc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c1
InChIInChI=1S/C14H9N3OS/c1-2-12(19-5-1)9-6-10-11(14-15-3-4-18-14)8-17-13(10)16-7-9/h1-8H,(H,16,17)
InChIKeyYCORPMUBNBJJMR-UHFFFAOYSA-N
XLogP3.95
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The IUPAC name of 2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole (CID 10423093) is 2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is c1csc(-c2cnc3[nH]cc(-c4ncco4)c3c2)c1.
What is the InChIKey of 2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
The InChIKey is YCORPMUBNBJJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c1-2-12(19-5-1)9-6-10-11(14-15-3-4-18-14)8-17-13(10)16-7-9/h1-8H,(H,16,17).
What are the key properties of 2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole?
2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole has a molecular weight of 267.31 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-thiophen-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-oxazole is sourced from PubChem (CID 10423093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).