5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine

C10H8F2N2OS — CID 117357259

IUPAC5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(SC(F)F)cc2)on1
InChIInChI=1S/C10H8F2N2OS/c11-10(12)16-7-3-1-6(2-4-7)8-5-9(13)14-15-8/h1-5,10H,(H2,13,14)
InChIKeyNNOKSMFGOLMYKS-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.24
Rot. Bonds3

About 5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine

5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117357259) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
PubChem CID117357259
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(SC(F)F)cc2)on1
InChIInChI=1S/C10H8F2N2OS/c11-10(12)16-7-3-1-6(2-4-7)8-5-9(13)14-15-8/h1-5,10H,(H2,13,14)
InChIKeyNNOKSMFGOLMYKS-UHFFFAOYSA-N
XLogP3.24
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine (CID 117357259) is 5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2ccc(SC(F)F)cc2)on1.
What is the InChIKey of 5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is NNOKSMFGOLMYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c11-10(12)16-7-3-1-6(2-4-7)8-5-9(13)14-15-8/h1-5,10H,(H2,13,14).
What are the key properties of 5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine?
5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 242.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117357259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).