(5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one

C16H12FNO2S — CID 122206084

IUPAC(5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one
SMILESC[C@@]1(Sc2ccccc2)OC(c2ccccc2F)=NC1=O
InChIInChI=1S/C16H12FNO2S/c1-16(21-11-7-3-2-4-8-11)15(19)18-14(20-16)12-9-5-6-10-13(12)17/h2-10H,1H3/t16-/m0/s1
InChIKeyYUNLPSDBYDLAGJ-INIZCTEOSA-N
MW301.34 g/mol
LogP3.64
Rot. Bonds3

About (5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one

(5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one (PubChem CID 122206084) has the molecular formula C16H12FNO2S and a molecular weight of 301.34 g/mol. Its IUPAC name is (5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one
PubChem CID122206084
Molecular FormulaC16H12FNO2S
Molecular Weight301.34 g/mol
Exact Mass301.06
IUPAC Name(5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one
SMILESC[C@@]1(Sc2ccccc2)OC(c2ccccc2F)=NC1=O
InChIInChI=1S/C16H12FNO2S/c1-16(21-11-7-3-2-4-8-11)15(19)18-14(20-16)12-9-5-6-10-13(12)17/h2-10H,1H3/t16-/m0/s1
InChIKeyYUNLPSDBYDLAGJ-INIZCTEOSA-N
XLogP3.64
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one?
The IUPAC name of (5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one (CID 122206084) is (5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one.
What is the SMILES notation for (5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one?
The canonical SMILES for (5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one is C[C@@]1(Sc2ccccc2)OC(c2ccccc2F)=NC1=O.
What is the InChIKey of (5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one?
The InChIKey is YUNLPSDBYDLAGJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H12FNO2S/c1-16(21-11-7-3-2-4-8-11)15(19)18-14(20-16)12-9-5-6-10-13(12)17/h2-10H,1H3/t16-/m0/s1.
What are the key properties of (5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one?
(5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one has a molecular weight of 301.34 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(2-fluorophenyl)-5-methyl-5-phenylsulfanyl-1,3-oxazol-4-one is sourced from PubChem (CID 122206084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).