2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole

C17H15F2NOS — CID 19102227

IUPAC2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2c(F)cccc2Sc2ccc(F)cc2)=N1
InChIInChI=1S/C17H15F2NOS/c1-17(2)10-21-16(20-17)15-13(19)4-3-5-14(15)22-12-8-6-11(18)7-9-12/h3-9H,10H2,1-2H3
InChIKeyGZRBBCCWLKPRRA-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.67
Rot. Bonds3

About 2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole

2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 19102227) has the molecular formula C17H15F2NOS and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole
PubChem CID19102227
Molecular FormulaC17H15F2NOS
Molecular Weight319.38 g/mol
Exact Mass319.08
IUPAC Name2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole
SMILESCC1(C)COC(c2c(F)cccc2Sc2ccc(F)cc2)=N1
InChIInChI=1S/C17H15F2NOS/c1-17(2)10-21-16(20-17)15-13(19)4-3-5-14(15)22-12-8-6-11(18)7-9-12/h3-9H,10H2,1-2H3
InChIKeyGZRBBCCWLKPRRA-UHFFFAOYSA-N
XLogP4.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole (CID 19102227) is 2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole is CC1(C)COC(c2c(F)cccc2Sc2ccc(F)cc2)=N1.
What is the InChIKey of 2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is GZRBBCCWLKPRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NOS/c1-17(2)10-21-16(20-17)15-13(19)4-3-5-14(15)22-12-8-6-11(18)7-9-12/h3-9H,10H2,1-2H3.
What are the key properties of 2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole?
2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 319.38 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(4-fluorophenyl)sulfanylphenyl]-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 19102227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).