5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole

C15H11FN2OS — CID 166360069

IUPAC5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESFc1ccc(-c2cc(CSc3ccncc3)no2)cc1
InChIInChI=1S/C15H11FN2OS/c16-12-3-1-11(2-4-12)15-9-13(18-19-15)10-20-14-5-7-17-8-6-14/h1-9H,10H2
InChIKeyMHJXUGLWDRZNAY-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.17
Rot. Bonds4

About 5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole

5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole (PubChem CID 166360069) has the molecular formula C15H11FN2OS and a molecular weight of 286.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole
PubChem CID166360069
Molecular FormulaC15H11FN2OS
Molecular Weight286.33 g/mol
Exact Mass286.06
IUPAC Name5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole
SMILESFc1ccc(-c2cc(CSc3ccncc3)no2)cc1
InChIInChI=1S/C15H11FN2OS/c16-12-3-1-11(2-4-12)15-9-13(18-19-15)10-20-14-5-7-17-8-6-14/h1-9H,10H2
InChIKeyMHJXUGLWDRZNAY-UHFFFAOYSA-N
XLogP4.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole?
The IUPAC name of 5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole (CID 166360069) is 5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole is Fc1ccc(-c2cc(CSc3ccncc3)no2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole?
The InChIKey is MHJXUGLWDRZNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2OS/c16-12-3-1-11(2-4-12)15-9-13(18-19-15)10-20-14-5-7-17-8-6-14/h1-9H,10H2.
What are the key properties of 5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole?
5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole has a molecular weight of 286.33 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-(pyridin-4-ylsulfanylmethyl)-1,2-oxazole is sourced from PubChem (CID 166360069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).