5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol

C17H17NO2S — CID 58591658

IUPAC5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol
SMILESCSc1ccc(C2=NOC(C)(O)C2c2ccccc2)cc1
InChIInChI=1S/C17H17NO2S/c1-17(19)15(12-6-4-3-5-7-12)16(18-20-17)13-8-10-14(21-2)11-9-13/h3-11,15,19H,1-2H3
InChIKeyUEKKOWWDSQDCCO-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.64
Rot. Bonds3

About 5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol

5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol (PubChem CID 58591658) has the molecular formula C17H17NO2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol
PubChem CID58591658
Molecular FormulaC17H17NO2S
Molecular Weight299.40 g/mol
Exact Mass299.10
IUPAC Name5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol
SMILESCSc1ccc(C2=NOC(C)(O)C2c2ccccc2)cc1
InChIInChI=1S/C17H17NO2S/c1-17(19)15(12-6-4-3-5-7-12)16(18-20-17)13-8-10-14(21-2)11-9-13/h3-11,15,19H,1-2H3
InChIKeyUEKKOWWDSQDCCO-UHFFFAOYSA-N
XLogP3.64
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol (CID 58591658) is 5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol is CSc1ccc(C2=NOC(C)(O)C2c2ccccc2)cc1.
What is the InChIKey of 5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol?
The InChIKey is UEKKOWWDSQDCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO2S/c1-17(19)15(12-6-4-3-5-7-12)16(18-20-17)13-8-10-14(21-2)11-9-13/h3-11,15,19H,1-2H3.
What are the key properties of 5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol?
5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol has a molecular weight of 299.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(4-methylsulfanylphenyl)-4-phenyl-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 58591658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).