(4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole

C17H10F7NO3S — CID 73295174

IUPAC(4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(C(F)(F)F)[C@@]1(F)C(c2ccccc2)=NO[C@]1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H10F7NO3S/c18-15(29(26,27)17(22,23)24)13(11-7-3-1-4-8-11)25-28-14(15,16(19,20)21)12-9-5-2-6-10-12/h1-10H/t14-,15-/m0/s1
InChIKeyNOOOWHYCHCOVIU-GJZGRUSLSA-N
MW441.32 g/mol
LogP4.48
Rot. Bonds3

About (4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole

(4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole (PubChem CID 73295174) has the molecular formula C17H10F7NO3S and a molecular weight of 441.32 g/mol. Its IUPAC name is (4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole.

Molecular Properties

Compound Name(4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole
PubChem CID73295174
Molecular FormulaC17H10F7NO3S
Molecular Weight441.32 g/mol
Exact Mass441.03
IUPAC Name(4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole
SMILESO=S(=O)(C(F)(F)F)[C@@]1(F)C(c2ccccc2)=NO[C@]1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H10F7NO3S/c18-15(29(26,27)17(22,23)24)13(11-7-3-1-4-8-11)25-28-14(15,16(19,20)21)12-9-5-2-6-10-12/h1-10H/t14-,15-/m0/s1
InChIKeyNOOOWHYCHCOVIU-GJZGRUSLSA-N
XLogP4.48
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
CID 14874563
4,4-dichloro-3,5-diphenyl-1,2-oxazol-5-ol
CID 12905786
4,4-dimethyl-3,5,5-triphenyl-1,2-oxazole
CID 125114444
(4S,5R)-3-(4-methoxyphenyl)-5-phenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-4H-1,2-oxazole
CID 73295001
ethane;trifluoromethylsulfonylbenzene
CID 144556552
5-phenyl-5-(trifluoromethyl)tetrazole
CID 69382702
(4S,5R)-5-(furan-2-yl)-3-phenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-4H-1,2-oxazole
CID 73294840
4,4-dichloro-5-methyl-3-phenyl-1,2-oxazol-5-ol
CID 12905773
ethane;methyl trifluoromethanesulfonate;quinoline
CID 91453882
5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol
CID 171981687
4-methyl-2,4,5-triphenylimidazole
CID 143115267
2-phenyl-2-(trifluoromethyl)-8-oxatricyclo[8.2.2.23,6]hexadeca-1(12),3(16),4,6(15),10,13-hexaene-7,9-dione
CID 141229863

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole?
The IUPAC name of (4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole (CID 73295174) is (4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole.
What is the SMILES notation for (4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole?
The canonical SMILES for (4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole is O=S(=O)(C(F)(F)F)[C@@]1(F)C(c2ccccc2)=NO[C@]1(c1ccccc1)C(F)(F)F.
What is the InChIKey of (4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole?
The InChIKey is NOOOWHYCHCOVIU-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H10F7NO3S/c18-15(29(26,27)17(22,23)24)13(11-7-3-1-4-8-11)25-28-14(15,16(19,20)21)12-9-5-2-6-10-12/h1-10H/t14-,15-/m0/s1.
What are the key properties of (4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole?
(4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole has a molecular weight of 441.32 g/mol, XLogP of 4.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-fluoro-3,5-diphenyl-5-(trifluoromethyl)-4-(trifluoromethylsulfonyl)-1,2-oxazole is sourced from PubChem (CID 73295174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).