(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole

C17H16FNO2S — CID 59699464

IUPAC(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCS(=O)c1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CF)cc1
InChIInChI=1S/C17H16FNO2S/c1-22(20)14-9-7-12(8-10-14)16-15(11-18)19-17(21-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16-,22?/m1/s1
InChIKeyWNYWLZSWZUMBEA-AXJGWOQESA-N
MW317.38 g/mol
LogP3.28
Rot. Bonds4

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

(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 59699464) has the molecular formula C17H16FNO2S and a molecular weight of 317.38 g/mol. Its IUPAC name is (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID59699464
Molecular FormulaC17H16FNO2S
Molecular Weight317.38 g/mol
Exact Mass317.09
IUPAC Name(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCS(=O)c1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CF)cc1
InChIInChI=1S/C17H16FNO2S/c1-22(20)14-9-7-12(8-10-14)16-15(11-18)19-17(21-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16-,22?/m1/s1
InChIKeyWNYWLZSWZUMBEA-AXJGWOQESA-N
XLogP3.28
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.38
LogP ≤ 53.28
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-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 59699464) is (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is CS(=O)c1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CF)cc1.
What is the InChIKey of (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is WNYWLZSWZUMBEA-AXJGWOQESA-N. The full InChI is InChI=1S/C17H16FNO2S/c1-22(20)14-9-7-12(8-10-14)16-15(11-18)19-17(21-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3/t15-,16-,22?/m1/s1.
What are the key properties of (4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5R)-4-(fluoromethyl)-5-(4-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 317.38 g/mol, XLogP of 3.28, 4 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-methylsulfinylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 59699464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).