3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole

C17H14FNO2S — CID 95571856

IUPAC3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole
SMILESO=[S@@](Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H14FNO2S/c18-15-8-6-13(7-9-15)11-22(20)12-16-10-17(21-19-16)14-4-2-1-3-5-14/h1-10H,11-12H2/t22-/m0/s1
InChIKeyOMSOWVMREHXZBF-QFIPXVFZSA-N
MW315.37 g/mol
LogP3.93
Rot. Bonds5

About 3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole

3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole (PubChem CID 95571856) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is 3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole
PubChem CID95571856
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole
SMILESO=[S@@](Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C17H14FNO2S/c18-15-8-6-13(7-9-15)11-22(20)12-16-10-17(21-19-16)14-4-2-1-3-5-14/h1-10H,11-12H2/t22-/m0/s1
InChIKeyOMSOWVMREHXZBF-QFIPXVFZSA-N
XLogP3.93
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-5-[(5-phenyl-1,2-oxazol-3-yl)methylsulfinylmethyl]-1,2-oxazole
CID 75402868
3-[(2-methylphenyl)methylsulfinylmethyl]-5-phenyl-1,2-oxazole
CID 86923060
2-(4-fluorophenyl)-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]acetamide
CID 110314644
1-(4-fluorophenyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 47093359
4-chloro-N-[(4-fluorophenyl)methyl]-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide
CID 51070844
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111229663
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39447049
N-[(4-fluorophenyl)methyl]-2-[3-[(5-phenyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]acetamide
CID 74734699
(5-phenyl-1,2-oxazol-3-yl)methyl 2-bromo-5-fluorobenzoate
CID 8987480
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-methyl-N-phenylacetamide
CID 16878802
(4-fluorophenyl)-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 10858449
3-(5-phenyl-1,2-oxazol-3-yl)propanoic acid
CID 53414694

Frequently Asked Questions

What is the IUPAC name of 3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole?
The IUPAC name of 3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole (CID 95571856) is 3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole.
What is the SMILES notation for 3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole?
The canonical SMILES for 3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole is O=[S@@](Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole?
The InChIKey is OMSOWVMREHXZBF-QFIPXVFZSA-N. The full InChI is InChI=1S/C17H14FNO2S/c18-15-8-6-13(7-9-15)11-22(20)12-16-10-17(21-19-16)14-4-2-1-3-5-14/h1-10H,11-12H2/t22-/m0/s1.
What are the key properties of 3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole?
3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole has a molecular weight of 315.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(S)-(4-fluorophenyl)methylsulfinyl]methyl]-5-phenyl-1,2-oxazole is sourced from PubChem (CID 95571856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).