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

C17H14FNO2S — CID 122206098

IUPAC(5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one
SMILESC[C@@]1(SCc2ccccc2)OC(c2ccc(F)cc2)=NC1=O
InChIInChI=1S/C17H14FNO2S/c1-17(22-11-12-5-3-2-4-6-12)16(20)19-15(21-17)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3/t17-/m0/s1
InChIKeyVPBIHPHOSMBHNT-KRWDZBQOSA-N
MW315.37 g/mol
LogP3.78
Rot. Bonds4

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

(5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one (PubChem CID 122206098) has the molecular formula C17H14FNO2S and a molecular weight of 315.37 g/mol. Its IUPAC name is (5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one
PubChem CID122206098
Molecular FormulaC17H14FNO2S
Molecular Weight315.37 g/mol
Exact Mass315.07
IUPAC Name(5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one
SMILESC[C@@]1(SCc2ccccc2)OC(c2ccc(F)cc2)=NC1=O
InChIInChI=1S/C17H14FNO2S/c1-17(22-11-12-5-3-2-4-6-12)16(20)19-15(21-17)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3/t17-/m0/s1
InChIKeyVPBIHPHOSMBHNT-KRWDZBQOSA-N
XLogP3.78
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one?
The IUPAC name of (5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one (CID 122206098) is (5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one.
What is the SMILES notation for (5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one?
The canonical SMILES for (5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one is C[C@@]1(SCc2ccccc2)OC(c2ccc(F)cc2)=NC1=O.
What is the InChIKey of (5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one?
The InChIKey is VPBIHPHOSMBHNT-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14FNO2S/c1-17(22-11-12-5-3-2-4-6-12)16(20)19-15(21-17)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one?
(5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one has a molecular weight of 315.37 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzylsulfanyl-2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-one is sourced from PubChem (CID 122206098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).