4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile

C14H9N3OS — CID 46341181

IUPAC4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile
SMILESN#Cc1ccc(CSc2nc3ncccc3o2)cc1
InChIInChI=1S/C14H9N3OS/c15-8-10-3-5-11(6-4-10)9-19-14-17-13-12(18-14)2-1-7-16-13/h1-7H,9H2
InChIKeyRZNYSAJPRGJJCT-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.39
Rot. Bonds3

About 4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile

4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile (PubChem CID 46341181) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile.

Molecular Properties

Compound Name4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile
PubChem CID46341181
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile
SMILESN#Cc1ccc(CSc2nc3ncccc3o2)cc1
InChIInChI=1S/C14H9N3OS/c15-8-10-3-5-11(6-4-10)9-19-14-17-13-12(18-14)2-1-7-16-13/h1-7H,9H2
InChIKeyRZNYSAJPRGJJCT-UHFFFAOYSA-N
XLogP3.39
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile?
The IUPAC name of 4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile (CID 46341181) is 4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile.
What is the SMILES notation for 4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile?
The canonical SMILES for 4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile is N#Cc1ccc(CSc2nc3ncccc3o2)cc1.
What is the InChIKey of 4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile?
The InChIKey is RZNYSAJPRGJJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c15-8-10-3-5-11(6-4-10)9-19-14-17-13-12(18-14)2-1-7-16-13/h1-7H,9H2.
What are the key properties of 4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile?
4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile has a molecular weight of 267.31 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-([1,3]oxazolo[4,5-b]pyridin-2-ylsulfanylmethyl)benzonitrile is sourced from PubChem (CID 46341181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).