(4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole

C17H15F2NOS — CID 59699468

IUPAC(4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFCSc1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CF)cc1
InChIInChI=1S/C17H15F2NOS/c18-10-15-16(12-6-8-14(9-7-12)22-11-19)21-17(20-15)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2/t15-,16-/m1/s1
InChIKeyFIFWMZQKNPPTKB-HZPDHXFCSA-N
MW319.38 g/mol
LogP4.56
Rot. Bonds5

About (4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole

(4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 59699468) has the molecular formula C17H15F2NOS and a molecular weight of 319.38 g/mol. Its IUPAC name is (4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID59699468
Molecular FormulaC17H15F2NOS
Molecular Weight319.38 g/mol
Exact Mass319.08
IUPAC Name(4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESFCSc1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CF)cc1
InChIInChI=1S/C17H15F2NOS/c18-10-15-16(12-6-8-14(9-7-12)22-11-19)21-17(20-15)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2/t15-,16-/m1/s1
InChIKeyFIFWMZQKNPPTKB-HZPDHXFCSA-N
XLogP4.56
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole (CID 59699468) is (4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole is FCSc1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CF)cc1.
What is the InChIKey of (4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is FIFWMZQKNPPTKB-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H15F2NOS/c18-10-15-16(12-6-8-14(9-7-12)22-11-19)21-17(20-15)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2/t15-,16-/m1/s1.
What are the key properties of (4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 319.38 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-(fluoromethyl)-5-[4-(fluoromethylsulfanyl)phenyl]-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59699468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).