2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine

C18H13FN2OS — CID 155538119

IUPAC2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc(CCc2nc3cc(-c4cccs4)cnc3o2)cc1
InChIInChI=1S/C18H13FN2OS/c19-14-6-3-12(4-7-14)5-8-17-21-15-10-13(11-20-18(15)22-17)16-2-1-9-23-16/h1-4,6-7,9-11H,5,8H2
InChIKeyBZJVDGZQLVFKOK-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.88
Rot. Bonds4

About 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine

2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 155538119) has the molecular formula C18H13FN2OS and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine
PubChem CID155538119
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine
SMILESFc1ccc(CCc2nc3cc(-c4cccs4)cnc3o2)cc1
InChIInChI=1S/C18H13FN2OS/c19-14-6-3-12(4-7-14)5-8-17-21-15-10-13(11-20-18(15)22-17)16-2-1-9-23-16/h1-4,6-7,9-11H,5,8H2
InChIKeyBZJVDGZQLVFKOK-UHFFFAOYSA-N
XLogP4.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine (CID 155538119) is 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine is Fc1ccc(CCc2nc3cc(-c4cccs4)cnc3o2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is BZJVDGZQLVFKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-14-6-3-12(4-7-14)5-8-17-21-15-10-13(11-20-18(15)22-17)16-2-1-9-23-16/h1-4,6-7,9-11H,5,8H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine?
2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 324.38 g/mol, XLogP of 4.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 155538119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).