2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine

C13H9FN2OS — CID 20948858

IUPAC2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1cccc(CSc2nc3ncccc3o2)c1
InChIInChI=1S/C13H9FN2OS/c14-10-4-1-3-9(7-10)8-18-13-16-12-11(17-13)5-2-6-15-12/h1-7H,8H2
InChIKeyBSRKIOGZLLELLG-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.65
Rot. Bonds3

About 2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine

2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 20948858) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
PubChem CID20948858
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1cccc(CSc2nc3ncccc3o2)c1
InChIInChI=1S/C13H9FN2OS/c14-10-4-1-3-9(7-10)8-18-13-16-12-11(17-13)5-2-6-15-12/h1-7H,8H2
InChIKeyBSRKIOGZLLELLG-UHFFFAOYSA-N
XLogP3.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine (CID 20948858) is 2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine is Fc1cccc(CSc2nc3ncccc3o2)c1.
What is the InChIKey of 2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is BSRKIOGZLLELLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c14-10-4-1-3-9(7-10)8-18-13-16-12-11(17-13)5-2-6-15-12/h1-7H,8H2.
What are the key properties of 2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine?
2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 260.29 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methylsulfanyl]-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 20948858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).