2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole

C12H14FNOS — CID 13439157

IUPAC2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCSc1cc(F)ccc1C1=NC(C)(C)CO1
InChIInChI=1S/C12H14FNOS/c1-12(2)7-15-11(14-12)9-5-4-8(13)6-10(9)16-3/h4-6H,7H2,1-3H3
InChIKeyYEVZIIHOSCBXEZ-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.10
Rot. Bonds2

About 2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole

2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole (PubChem CID 13439157) has the molecular formula C12H14FNOS and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole.

Molecular Properties

Compound Name2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole
PubChem CID13439157
Molecular FormulaC12H14FNOS
Molecular Weight239.31 g/mol
Exact Mass239.08
IUPAC Name2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole
SMILESCSc1cc(F)ccc1C1=NC(C)(C)CO1
InChIInChI=1S/C12H14FNOS/c1-12(2)7-15-11(14-12)9-5-4-8(13)6-10(9)16-3/h4-6H,7H2,1-3H3
InChIKeyYEVZIIHOSCBXEZ-UHFFFAOYSA-N
XLogP3.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The IUPAC name of 2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole (CID 13439157) is 2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole.
What is the SMILES notation for 2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The canonical SMILES for 2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole is CSc1cc(F)ccc1C1=NC(C)(C)CO1.
What is the InChIKey of 2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
The InChIKey is YEVZIIHOSCBXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNOS/c1-12(2)7-15-11(14-12)9-5-4-8(13)6-10(9)16-3/h4-6H,7H2,1-3H3.
What are the key properties of 2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole?
2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole has a molecular weight of 239.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methylsulfanylphenyl)-4,4-dimethyl-5H-1,3-oxazole is sourced from PubChem (CID 13439157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).