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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Related Compounds

5-methyl-2-methylsulfonyl-4-phenyl-1,3-oxazole
CID 21435665
5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole
CID 11694132
2-(azetidin-3-yl)-5-methyl-4-phenyl-1,3-oxazole
CID 105467712
5-chloro-6-methyl-3-phenyl-1,4-oxazin-2-one
CID 11401775
N-hydroxy-6-(5-methyl-4-phenyl-1,3-oxazol-2-yl)hexanamide
CID 11616233
6-methylsulfanyl-3,5-diphenyl-1,2,4-triazine
CID 14740710
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
3-methylsulfanyl-5-(3-methylsulfanyl-6-phenyl-1,2,4-triazin-5-yl)-6-phenyl-1,2,4-triazine
CID 15564624
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
CID 115049958
4-(1-benzylpyridin-1-ium-4-yl)-5-methyl-2-phenyl-1,3-oxazole
CID 11596633
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4,5-diphenyl-1,3-oxazole
CID 4026273
3-methyl-5-methylsulfanyl-2-phenyl-1,3,4-oxadiazol-3-ium iodide
CID 71404101

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).