2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine

C12H9N3OS — CID 20948835

IUPAC2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(CSc2nc3ncccc3o2)nc1
InChIInChI=1S/C12H9N3OS/c1-2-6-13-9(4-1)8-17-12-15-11-10(16-12)5-3-7-14-11/h1-7H,8H2
InChIKeyFCARJQUETKEBKL-UHFFFAOYSA-N
MW243.29 g/mol
LogP2.91
Rot. Bonds3

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

2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 20948835) has the molecular formula C12H9N3OS and a molecular weight of 243.29 g/mol. Its IUPAC name is 2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID20948835
Molecular FormulaC12H9N3OS
Molecular Weight243.29 g/mol
Exact Mass243.05
IUPAC Name2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESc1ccc(CSc2nc3ncccc3o2)nc1
InChIInChI=1S/C12H9N3OS/c1-2-6-13-9(4-1)8-17-12-15-11-10(16-12)5-3-7-14-11/h1-7H,8H2
InChIKeyFCARJQUETKEBKL-UHFFFAOYSA-N
XLogP2.91
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-2-ylmethylsulfanyl)-1,3-benzoxazol-6-amine
CID 61357703
4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile
CID 46341181
2-[(3-nitrophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
CID 46341180
N-[2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)ethyl]-N-propan-2-ylpropan-2-amine
CID 15035818
2-[[4-(pyridin-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]pyridine
CID 86021150
N-(2-methoxyphenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948841
2-(pyridin-4-ylsulfanylmethyl)pyridine;dihydrochloride
CID 13058753
2-(pyridin-2-ylmethylsulfanylmethyl)pyridine
CID 12047870
2-[(2,3,4,5,6-pentafluorophenyl)sulfanylmethyl]pyridine;hydrochloride
CID 12760224
2-(4-fluorophenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-oxadiazole
CID 859568
4-(pyridin-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
CID 17422663
N-(3-chlorophenyl)-2-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20948919

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine (CID 20948835) is 2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine is c1ccc(CSc2nc3ncccc3o2)nc1.
What is the InChIKey of 2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is FCARJQUETKEBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS/c1-2-6-13-9(4-1)8-17-12-15-11-10(16-12)5-3-7-14-11/h1-7H,8H2.
What are the key properties of 2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine?
2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 243.29 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylmethylsulfanyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 20948835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).