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

C13H10FNOS — CID 13467216

IUPAC3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=NOC(c3cccs3)C2)cc1
InChIInChI=1S/C13H10FNOS/c14-10-5-3-9(4-6-10)11-8-12(16-15-11)13-2-1-7-17-13/h1-7,12H,8H2
InChIKeyIQZVNYHWKCJRTE-UHFFFAOYSA-N
MW247.29 g/mol
LogP3.75
Rot. Bonds2

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

3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 13467216) has the molecular formula C13H10FNOS and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID13467216
Molecular FormulaC13H10FNOS
Molecular Weight247.29 g/mol
Exact Mass247.05
IUPAC Name3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole
SMILESFc1ccc(C2=NOC(c3cccs3)C2)cc1
InChIInChI=1S/C13H10FNOS/c14-10-5-3-9(4-6-10)11-8-12(16-15-11)13-2-1-7-17-13/h1-7,12H,8H2
InChIKeyIQZVNYHWKCJRTE-UHFFFAOYSA-N
XLogP3.75
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole (CID 13467216) is 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole is Fc1ccc(C2=NOC(c3cccs3)C2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is IQZVNYHWKCJRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNOS/c14-10-5-3-9(4-6-10)11-8-12(16-15-11)13-2-1-7-17-13/h1-7,12H,8H2.
What are the key properties of 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole?
3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 247.29 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 13467216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).