2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine

C13H8N4O — CID 141361591

IUPAC2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2cc(-c3nc4ncccc4o3)[nH]c2c1
InChIInChI=1S/C13H8N4O/c1-3-8-9(14-5-1)7-10(16-8)13-17-12-11(18-13)4-2-6-15-12/h1-7,16H
InChIKeySCYRVMKUMSWEOF-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.77
Rot. Bonds1

About 2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine

2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 141361591) has the molecular formula C13H8N4O and a molecular weight of 236.23 g/mol. Its IUPAC name is 2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID141361591
Molecular FormulaC13H8N4O
Molecular Weight236.23 g/mol
Exact Mass236.07
IUPAC Name2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1cnc2cc(-c3nc4ncccc4o3)[nH]c2c1
InChIInChI=1S/C13H8N4O/c1-3-8-9(14-5-1)7-10(16-8)13-17-12-11(18-13)4-2-6-15-12/h1-7,16H
InChIKeySCYRVMKUMSWEOF-UHFFFAOYSA-N
XLogP2.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-benzofuran-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 130319772
2-(1H-indol-2-yl)-1H-pyrrolo[3,2-b]pyridine
CID 156702024
ethane;2-phenyl-[1,3]oxazolo[4,5-b]pyridine
CID 91297789
2-(2,3,4,5,6-pentafluorophenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 91678562
2-(4-methylphenyl)-1H-pyrrolo[3,2-b]pyridine
CID 84676205
2-[2-([1,3]oxazolo[4,5-b]pyridin-2-yl)-3,4,5,6-tetrakis([1,3]oxazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]oxazolo[5,4-b]pyridine
CID 58625631
2-(3,5-ditert-butylphenyl)-[1,3]oxazolo[4,5-b]pyridine
CID 22754795
N,N-dimethyl-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline;dihydrochloride
CID 22754817
2,6-dibromo-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
CID 17274028
2-[2-(1H-imidazo[4,5-b]pyridin-6-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]-[1,3]oxazolo[4,5-b]pyridine
CID 146588938
4-amino-2-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenol
CID 936032
[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
CID 22754802

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine (CID 141361591) is 2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine is c1cnc2cc(-c3nc4ncccc4o3)[nH]c2c1.
What is the InChIKey of 2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is SCYRVMKUMSWEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4O/c1-3-8-9(14-5-1)7-10(16-8)13-17-12-11(18-13)4-2-6-15-12/h1-7,16H.
What are the key properties of 2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine?
2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 236.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[3,2-b]pyridin-2-yl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 141361591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).