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

C17H15NO2S — CID 122206085

IUPAC(5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one
SMILESCc1ccccc1C1=NC(=O)[C@](C)(Sc2ccccc2)O1
InChIInChI=1S/C17H15NO2S/c1-12-8-6-7-11-14(12)15-18-16(19)17(2,20-15)21-13-9-4-3-5-10-13/h3-11H,1-2H3/t17-/m0/s1
InChIKeyMVSXALYFVKFOHX-KRWDZBQOSA-N
MW297.38 g/mol
LogP3.81
Rot. Bonds3

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

(5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one (PubChem CID 122206085) has the molecular formula C17H15NO2S and a molecular weight of 297.38 g/mol. Its IUPAC name is (5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one.

Molecular Properties

Compound Name(5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one
PubChem CID122206085
Molecular FormulaC17H15NO2S
Molecular Weight297.38 g/mol
Exact Mass297.08
IUPAC Name(5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one
SMILESCc1ccccc1C1=NC(=O)[C@](C)(Sc2ccccc2)O1
InChIInChI=1S/C17H15NO2S/c1-12-8-6-7-11-14(12)15-18-16(19)17(2,20-15)21-13-9-4-3-5-10-13/h3-11H,1-2H3/t17-/m0/s1
InChIKeyMVSXALYFVKFOHX-KRWDZBQOSA-N
XLogP3.81
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.81
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-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one?
The IUPAC name of (5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one (CID 122206085) is (5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one.
What is the SMILES notation for (5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one?
The canonical SMILES for (5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one is Cc1ccccc1C1=NC(=O)[C@](C)(Sc2ccccc2)O1.
What is the InChIKey of (5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one?
The InChIKey is MVSXALYFVKFOHX-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15NO2S/c1-12-8-6-7-11-14(12)15-18-16(19)17(2,20-15)21-13-9-4-3-5-10-13/h3-11H,1-2H3/t17-/m0/s1.
What are the key properties of (5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one?
(5S)-5-methyl-2-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one has a molecular weight of 297.38 g/mol, XLogP of 3.81, 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-(2-methylphenyl)-5-phenylsulfanyl-1,3-oxazol-4-one is sourced from PubChem (CID 122206085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).