5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole

C13H8FNOS — CID 856373

IUPAC5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole
SMILESFc1ccc(-c2cnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H8FNOS/c14-10-5-3-9(4-6-10)11-8-15-13(16-11)12-2-1-7-17-12/h1-8H
InChIKeyCRICFIBKOMWSAE-UHFFFAOYSA-N
MW245.28 g/mol
LogP4.21
Rot. Bonds2

About 5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole

5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole (PubChem CID 856373) has the molecular formula C13H8FNOS and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole
PubChem CID856373
Molecular FormulaC13H8FNOS
Molecular Weight245.28 g/mol
Exact Mass245.03
IUPAC Name5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole
SMILESFc1ccc(-c2cnc(-c3cccs3)o2)cc1
InChIInChI=1S/C13H8FNOS/c14-10-5-3-9(4-6-10)11-8-15-13(16-11)12-2-1-7-17-12/h1-8H
InChIKeyCRICFIBKOMWSAE-UHFFFAOYSA-N
XLogP4.21
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole (CID 856373) is 5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole is Fc1ccc(-c2cnc(-c3cccs3)o2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is CRICFIBKOMWSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNOS/c14-10-5-3-9(4-6-10)11-8-15-13(16-11)12-2-1-7-17-12/h1-8H.
What are the key properties of 5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole?
5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 245.28 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 856373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).