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

C18H13FN2OS — CID 155525230

IUPAC2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1ccc(CCc2nc3ncc(-c4cccs4)cc3o2)cc1
InChIInChI=1S/C18H13FN2OS/c19-14-6-3-12(4-7-14)5-8-17-21-18-15(22-17)10-13(11-20-18)16-2-1-9-23-16/h1-4,6-7,9-11H,5,8H2
InChIKeyIWLXNCNSSDWGBD-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.88
Rot. Bonds4

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

2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 155525230) 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[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine
PubChem CID155525230
Molecular FormulaC18H13FN2OS
Molecular Weight324.38 g/mol
Exact Mass324.07
IUPAC Name2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine
SMILESFc1ccc(CCc2nc3ncc(-c4cccs4)cc3o2)cc1
InChIInChI=1S/C18H13FN2OS/c19-14-6-3-12(4-7-14)5-8-17-21-18-15(22-17)10-13(11-20-18)16-2-1-9-23-16/h1-4,6-7,9-11H,5,8H2
InChIKeyIWLXNCNSSDWGBD-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

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Related Compounds

1-Oxazolo(4,5-b)pyridin-2-yl-6-phenyl-1-hexanone
CID 10085812
1-Heptanone, 1-oxazolo[4,5-b]pyridin-2-yl-7-phenyl-
CID 11150976
Oxazolo(4,5-b)pyridine, 2-(2-fluorophenyl)-
CID 1971814
1-(Oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one
CID 22486206
1-(Oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-one
CID 44589338
1-(Oxazolo[4,5-b]pyridin-2-yl)-9-phenylnonan-1-one
CID 44389776
N-[4-chloro-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 2994872
Oxazolo(4,5-b)pyridine, 2-(2,6-difluorophenyl)-
CID 3040487
N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]thiophene-2-carboxamide
CID 720771
3-chloro-N-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 1132506
3-chloro-N-[2-methyl-5-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 1132508
2-fluoro-N-[[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]carbamothioyl]benzamide
CID 1282251

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine (CID 155525230) is 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine is Fc1ccc(CCc2nc3ncc(-c4cccs4)cc3o2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is IWLXNCNSSDWGBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2OS/c19-14-6-3-12(4-7-14)5-8-17-21-18-15(22-17)10-13(11-20-18)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[4,5-b]pyridine?
2-[2-(4-fluorophenyl)ethyl]-6-thiophen-2-yl-[1,3]oxazolo[4,5-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[4,5-b]pyridine is sourced from PubChem (CID 155525230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).