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

C15H14FNOS — CID 173220288

IUPAC3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole
SMILESCCN1C(c2cccs2)=COC1c1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c1-2-17-13(14-4-3-9-19-14)10-18-15(17)11-5-7-12(16)8-6-11/h3-10,15H,2H2,1H3
InChIKeyMZCKLLUXRWTEDS-UHFFFAOYSA-N
MW275.35 g/mol
LogP4.24
Rot. Bonds3

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

3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole (PubChem CID 173220288) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole.

Molecular Properties

Compound Name3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole
PubChem CID173220288
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole
SMILESCCN1C(c2cccs2)=COC1c1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c1-2-17-13(14-4-3-9-19-14)10-18-15(17)11-5-7-12(16)8-6-11/h3-10,15H,2H2,1H3
InChIKeyMZCKLLUXRWTEDS-UHFFFAOYSA-N
XLogP4.24
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole?
The IUPAC name of 3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole (CID 173220288) is 3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole.
What is the SMILES notation for 3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole?
The canonical SMILES for 3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole is CCN1C(c2cccs2)=COC1c1ccc(F)cc1.
What is the InChIKey of 3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole?
The InChIKey is MZCKLLUXRWTEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNOS/c1-2-17-13(14-4-3-9-19-14)10-18-15(17)11-5-7-12(16)8-6-11/h3-10,15H,2H2,1H3.
What are the key properties of 3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole?
3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole has a molecular weight of 275.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(4-fluorophenyl)-4-thiophen-2-yl-2H-1,3-oxazole is sourced from PubChem (CID 173220288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).