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

C10H7F2NOS — CID 67022476

IUPAC2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole
SMILESFc1cccc(F)c1CSc1ncco1
InChIInChI=1S/C10H7F2NOS/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-5H,6H2
InChIKeyLUIKOQPLYBDVBJ-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.25
Rot. Bonds3

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

2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole (PubChem CID 67022476) has the molecular formula C10H7F2NOS and a molecular weight of 227.24 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole
PubChem CID67022476
Molecular FormulaC10H7F2NOS
Molecular Weight227.24 g/mol
Exact Mass227.02
IUPAC Name2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole
SMILESFc1cccc(F)c1CSc1ncco1
InChIInChI=1S/C10H7F2NOS/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-5H,6H2
InChIKeyLUIKOQPLYBDVBJ-UHFFFAOYSA-N
XLogP3.25
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole?
The IUPAC name of 2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole (CID 67022476) is 2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole?
The canonical SMILES for 2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole is Fc1cccc(F)c1CSc1ncco1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole?
The InChIKey is LUIKOQPLYBDVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NOS/c11-8-2-1-3-9(12)7(8)6-15-10-13-4-5-14-10/h1-5H,6H2.
What are the key properties of 2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole?
2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole has a molecular weight of 227.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methylsulfanyl]-1,3-oxazole is sourced from PubChem (CID 67022476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).