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

C16H13NO2S — CID 122206090

IUPAC(5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one
SMILESC[C@@]1(Sc2ccccc2)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C16H13NO2S/c1-16(20-13-10-6-3-7-11-13)15(18)17-14(19-16)12-8-4-2-5-9-12/h2-11H,1H3/t16-/m0/s1
InChIKeyUWYPNISSDJNDPG-INIZCTEOSA-N
MW283.35 g/mol
LogP3.50
Rot. Bonds3

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

(5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one (PubChem CID 122206090) has the molecular formula C16H13NO2S and a molecular weight of 283.35 g/mol. Its IUPAC name is (5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one
PubChem CID122206090
Molecular FormulaC16H13NO2S
Molecular Weight283.35 g/mol
Exact Mass283.07
IUPAC Name(5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one
SMILESC[C@@]1(Sc2ccccc2)OC(c2ccccc2)=NC1=O
InChIInChI=1S/C16H13NO2S/c1-16(20-13-10-6-3-7-11-13)15(18)17-14(19-16)12-8-4-2-5-9-12/h2-11H,1H3/t16-/m0/s1
InChIKeyUWYPNISSDJNDPG-INIZCTEOSA-N
XLogP3.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one?
The IUPAC name of (5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one (CID 122206090) is (5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one.
What is the SMILES notation for (5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one?
The canonical SMILES for (5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one is C[C@@]1(Sc2ccccc2)OC(c2ccccc2)=NC1=O.
What is the InChIKey of (5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one?
The InChIKey is UWYPNISSDJNDPG-INIZCTEOSA-N. The full InChI is InChI=1S/C16H13NO2S/c1-16(20-13-10-6-3-7-11-13)15(18)17-14(19-16)12-8-4-2-5-9-12/h2-11H,1H3/t16-/m0/s1.
What are the key properties of (5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one?
(5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one has a molecular weight of 283.35 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-methyl-2-phenyl-5-phenylsulfanyl-1,3-oxazol-4-one is sourced from PubChem (CID 122206090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).