5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole

C11H11NOS — CID 21435653

IUPAC5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole
SMILESCSc1nc(-c2ccccc2)c(C)o1
InChIInChI=1S/C11H11NOS/c1-8-10(12-11(13-8)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyZDRNHMWJPYGWLF-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.37
Rot. Bonds2

About 5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole

5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole (PubChem CID 21435653) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole
PubChem CID21435653
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole
SMILESCSc1nc(-c2ccccc2)c(C)o1
InChIInChI=1S/C11H11NOS/c1-8-10(12-11(13-8)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyZDRNHMWJPYGWLF-UHFFFAOYSA-N
XLogP3.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole (CID 21435653) is 5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole is CSc1nc(-c2ccccc2)c(C)o1.
What is the InChIKey of 5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole?
The InChIKey is ZDRNHMWJPYGWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8-10(12-11(13-8)14-2)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole?
5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole has a molecular weight of 205.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole is sourced from PubChem (CID 21435653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).