2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole

C11H9F2NOS — CID 67022564

IUPAC2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
SMILESCc1ccc(F)c(CSc2ncco2)c1F
InChIInChI=1S/C11H9F2NOS/c1-7-2-3-9(12)8(10(7)13)6-16-11-14-4-5-15-11/h2-5H,6H2,1H3
InChIKeyPYKJBEXESNAVCP-UHFFFAOYSA-N
MW241.26 g/mol
LogP3.55
Rot. Bonds3

About 2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole

2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole (PubChem CID 67022564) has the molecular formula C11H9F2NOS and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
PubChem CID67022564
Molecular FormulaC11H9F2NOS
Molecular Weight241.26 g/mol
Exact Mass241.04
IUPAC Name2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
SMILESCc1ccc(F)c(CSc2ncco2)c1F
InChIInChI=1S/C11H9F2NOS/c1-7-2-3-9(12)8(10(7)13)6-16-11-14-4-5-15-11/h2-5H,6H2,1H3
InChIKeyPYKJBEXESNAVCP-UHFFFAOYSA-N
XLogP3.55
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole (CID 67022564) is 2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole is Cc1ccc(F)c(CSc2ncco2)c1F.
What is the InChIKey of 2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole?
The InChIKey is PYKJBEXESNAVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NOS/c1-7-2-3-9(12)8(10(7)13)6-16-11-14-4-5-15-11/h2-5H,6H2,1H3.
What are the key properties of 2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole?
2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole has a molecular weight of 241.26 g/mol, XLogP of 3.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 67022564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).