4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole

C17H14FNO2S — CID 55537742

IUPAC4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(CSc3ccc(F)cc3)co2)cc1
InChIInChI=1S/C17H14FNO2S/c1-20-15-6-2-12(3-7-15)17-19-14(10-21-17)11-22-16-8-4-13(18)5-9-16/h2-10H,11H2,1H3
InChIKeyJWGXRGQLOSIGEU-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.78
Rot. Bonds5

About 4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole

4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole (PubChem CID 55537742) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
PubChem CID55537742
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccc(-c2nc(CSc3ccc(F)cc3)co2)cc1
InChIInChI=1S/C17H14FNO2S/c1-20-15-6-2-12(3-7-15)17-19-14(10-21-17)11-22-16-8-4-13(18)5-9-16/h2-10H,11H2,1H3
InChIKeyJWGXRGQLOSIGEU-UHFFFAOYSA-N
XLogP4.78
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole (CID 55537742) is 4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole is COc1ccc(-c2nc(CSc3ccc(F)cc3)co2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
The InChIKey is JWGXRGQLOSIGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-20-15-6-2-12(3-7-15)17-19-14(10-21-17)11-22-16-8-4-13(18)5-9-16/h2-10H,11H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole?
4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole has a molecular weight of 315.37 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 55537742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).