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

C11H11NOS — CID 11694132

IUPAC5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole
SMILESCSc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C11H11NOS/c1-8-11(14-2)12-10(13-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyTXCDRFSFIJWYQT-UHFFFAOYSA-N
MW205.28 g/mol
LogP3.37
Rot. Bonds2

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

5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole (PubChem CID 11694132) has the molecular formula C11H11NOS and a molecular weight of 205.28 g/mol. Its IUPAC name is 5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole.

Molecular Properties

Compound Name5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole
PubChem CID11694132
Molecular FormulaC11H11NOS
Molecular Weight205.28 g/mol
Exact Mass205.06
IUPAC Name5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole
SMILESCSc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C11H11NOS/c1-8-11(14-2)12-10(13-8)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyTXCDRFSFIJWYQT-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-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
CID 115049958
4-methyl-5-(methylsulfanylmethyl)-2-phenyl-1,3-oxazole
CID 54240728
5-methyl-2-methylsulfanyl-4-phenyl-1,3-oxazole
CID 21435653
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetaldehyde
CID 18984662
4-diphenylphosphoryl-5-methyl-2-phenyl-1,3-oxazole
CID 11078866
5-methyl-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337949
5-methyl-4-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]-2-phenyl-1,3-oxazole
CID 20723570
4-ethyl-5-methyl-2-(3-phenylphenyl)-1,3-oxazole
CID 91508393
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
ethane;methanesulfonic acid;5-methyl-2-phenyl-1,3-oxazol-4-ol
CID 87970462
4-methyl-5-[[(4-methyl-2-phenyl-1,3-oxazol-5-yl)methyldisulfanyl]methyl]-2-phenyl-1,3-oxazole
CID 54022373

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole?
The IUPAC name of 5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole (CID 11694132) is 5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole.
What is the SMILES notation for 5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole?
The canonical SMILES for 5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole is CSc1nc(-c2ccccc2)oc1C.
What is the InChIKey of 5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole?
The InChIKey is TXCDRFSFIJWYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NOS/c1-8-11(14-2)12-10(13-8)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole?
5-methyl-4-methylsulfanyl-2-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-4-methylsulfanyl-2-phenyl-1,3-oxazole is sourced from PubChem (CID 11694132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).