4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole

C17H16FNOS — CID 14597701

IUPAC4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCSc1ccc(C2OC(c3ccccc3)=NC2CF)cc1
InChIInChI=1S/C17H16FNOS/c1-21-14-9-7-12(8-10-14)16-15(11-18)19-17(20-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3
InChIKeyDKHOCUGOUPBEIY-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.26
Rot. Bonds4

About 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole

4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 14597701) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID14597701
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole
SMILESCSc1ccc(C2OC(c3ccccc3)=NC2CF)cc1
InChIInChI=1S/C17H16FNOS/c1-21-14-9-7-12(8-10-14)16-15(11-18)19-17(20-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3
InChIKeyDKHOCUGOUPBEIY-UHFFFAOYSA-N
XLogP4.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole (CID 14597701) is 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is CSc1ccc(C2OC(c3ccccc3)=NC2CF)cc1.
What is the InChIKey of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is DKHOCUGOUPBEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-21-14-9-7-12(8-10-14)16-15(11-18)19-17(20-16)13-5-3-2-4-6-13/h2-10,15-16H,11H2,1H3.
What are the key properties of 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole?
4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 301.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-2-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 14597701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).