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

C18H18FNOS — CID 23374804

IUPAC2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCSc1ccc(C2OC(Cc3ccccc3)=NC2CF)cc1
InChIInChI=1S/C18H18FNOS/c1-22-15-9-7-14(8-10-15)18-16(12-19)20-17(21-18)11-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3
InChIKeySHIOEIWOKCOQDR-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.46
Rot. Bonds5

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

2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole (PubChem CID 23374804) has the molecular formula C18H18FNOS and a molecular weight of 315.41 g/mol. Its IUPAC name is 2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
PubChem CID23374804
Molecular FormulaC18H18FNOS
Molecular Weight315.41 g/mol
Exact Mass315.11
IUPAC Name2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole
SMILESCSc1ccc(C2OC(Cc3ccccc3)=NC2CF)cc1
InChIInChI=1S/C18H18FNOS/c1-22-15-9-7-14(8-10-15)18-16(12-19)20-17(21-18)11-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3
InChIKeySHIOEIWOKCOQDR-UHFFFAOYSA-N
XLogP4.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole (CID 23374804) is 2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole is CSc1ccc(C2OC(Cc3ccccc3)=NC2CF)cc1.
What is the InChIKey of 2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole?
The InChIKey is SHIOEIWOKCOQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNOS/c1-22-15-9-7-14(8-10-15)18-16(12-19)20-17(21-18)11-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3.
What are the key properties of 2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole?
2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole has a molecular weight of 315.41 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-(fluoromethyl)-5-(4-methylsulfanylphenyl)-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 23374804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).