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

C17H17NOS — CID 10891357

IUPAC2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole
SMILESCSc1ccc(C2=C(c3ccccc3)ON(C)C2)cc1
InChIInChI=1S/C17H17NOS/c1-18-12-16(13-8-10-15(20-2)11-9-13)17(19-18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyFOXUZYBIKDGPIV-UHFFFAOYSA-N
MW283.40 g/mol
LogP4.15
Rot. Bonds3

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

2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole (PubChem CID 10891357) has the molecular formula C17H17NOS and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole.

Molecular Properties

Compound Name2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole
PubChem CID10891357
Molecular FormulaC17H17NOS
Molecular Weight283.40 g/mol
Exact Mass283.10
IUPAC Name2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole
SMILESCSc1ccc(C2=C(c3ccccc3)ON(C)C2)cc1
InChIInChI=1S/C17H17NOS/c1-18-12-16(13-8-10-15(20-2)11-9-13)17(19-18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
InChIKeyFOXUZYBIKDGPIV-UHFFFAOYSA-N
XLogP4.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole?
The IUPAC name of 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole (CID 10891357) is 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole.
What is the SMILES notation for 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole?
The canonical SMILES for 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole is CSc1ccc(C2=C(c3ccccc3)ON(C)C2)cc1.
What is the InChIKey of 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole?
The InChIKey is FOXUZYBIKDGPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NOS/c1-18-12-16(13-8-10-15(20-2)11-9-13)17(19-18)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole?
2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole has a molecular weight of 283.40 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-methylsulfanylphenyl)-5-phenyl-3H-1,2-oxazole is sourced from PubChem (CID 10891357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).