[(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol

C17H16FNO2S — CID 59699466

IUPAC[(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOC[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccc(SCF)cc1
InChIInChI=1S/C17H16FNO2S/c18-11-22-14-8-6-12(7-9-14)16-15(10-20)19-17(21-16)13-4-2-1-3-5-13/h1-9,15-16,20H,10-11H2/t15-,16-/m1/s1
InChIKeyOJPUQOHESZJTJN-HZPDHXFCSA-N
MW317.39 g/mol
LogP3.58
Rot. Bonds5

About [(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol

[(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (PubChem CID 59699466) has the molecular formula C17H16FNO2S and a molecular weight of 317.39 g/mol. Its IUPAC name is [(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
PubChem CID59699466
Molecular FormulaC17H16FNO2S
Molecular Weight317.39 g/mol
Exact Mass317.09
IUPAC Name[(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol
SMILESOC[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccc(SCF)cc1
InChIInChI=1S/C17H16FNO2S/c18-11-22-14-8-6-12(7-9-14)16-15(10-20)19-17(21-16)13-4-2-1-3-5-13/h1-9,15-16,20H,10-11H2/t15-,16-/m1/s1
InChIKeyOJPUQOHESZJTJN-HZPDHXFCSA-N
XLogP3.58
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The IUPAC name of [(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol (CID 59699466) is [(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is OC[C@H]1N=C(c2ccccc2)O[C@@H]1c1ccc(SCF)cc1.
What is the InChIKey of [(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
The InChIKey is OJPUQOHESZJTJN-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H16FNO2S/c18-11-22-14-8-6-12(7-9-14)16-15(10-20)19-17(21-16)13-4-2-1-3-5-13/h1-9,15-16,20H,10-11H2/t15-,16-/m1/s1.
What are the key properties of [(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol?
[(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol has a molecular weight of 317.39 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 59699466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).