4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

C12H11F4NOS — CID 19012999

IUPAC4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESCSc1ccc(C2OC(C(F)(F)F)=NC2CF)cc1
InChIInChI=1S/C12H11F4NOS/c1-19-8-4-2-7(3-5-8)10-9(6-13)17-11(18-10)12(14,15)16/h2-5,9-10H,6H2,1H3
InChIKeyWDHWGHOQIXMGDL-UHFFFAOYSA-N
MW293.29 g/mol
LogP3.78
Rot. Bonds3

About 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole

4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (PubChem CID 19012999) has the molecular formula C12H11F4NOS and a molecular weight of 293.29 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
PubChem CID19012999
Molecular FormulaC12H11F4NOS
Molecular Weight293.29 g/mol
Exact Mass293.05
IUPAC Name4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole
SMILESCSc1ccc(C2OC(C(F)(F)F)=NC2CF)cc1
InChIInChI=1S/C12H11F4NOS/c1-19-8-4-2-7(3-5-8)10-9(6-13)17-11(18-10)12(14,15)16/h2-5,9-10H,6H2,1H3
InChIKeyWDHWGHOQIXMGDL-UHFFFAOYSA-N
XLogP3.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole (CID 19012999) is 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is CSc1ccc(C2OC(C(F)(F)F)=NC2CF)cc1.
What is the InChIKey of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is WDHWGHOQIXMGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NOS/c1-19-8-4-2-7(3-5-8)10-9(6-13)17-11(18-10)12(14,15)16/h2-5,9-10H,6H2,1H3.
What are the key properties of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole?
4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 293.29 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-(trifluoromethyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 19012999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).