5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole

C16H14F3N3OS — CID 146091635

IUPAC5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole
SMILESFC(F)(F)Cn1ccnc1CSCc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H14F3N3OS/c17-16(18,19)11-22-7-6-20-15(22)10-24-9-13-8-14(23-21-13)12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyOGJLVMGYMBTIEG-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.53
Rot. Bonds6

About 5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole

5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole (PubChem CID 146091635) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is 5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole
PubChem CID146091635
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC Name5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole
SMILESFC(F)(F)Cn1ccnc1CSCc1cc(-c2ccccc2)on1
InChIInChI=1S/C16H14F3N3OS/c17-16(18,19)11-22-7-6-20-15(22)10-24-9-13-8-14(23-21-13)12-4-2-1-3-5-12/h1-8H,9-11H2
InChIKeyOGJLVMGYMBTIEG-UHFFFAOYSA-N
XLogP4.53
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole (CID 146091635) is 5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole is FC(F)(F)Cn1ccnc1CSCc1cc(-c2ccccc2)on1.
What is the InChIKey of 5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole?
The InChIKey is OGJLVMGYMBTIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c17-16(18,19)11-22-7-6-20-15(22)10-24-9-13-8-14(23-21-13)12-4-2-1-3-5-12/h1-8H,9-11H2.
What are the key properties of 5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole?
5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole has a molecular weight of 353.37 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methylsulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 146091635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).