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

C10H8F2N2OS — CID 117357277

IUPAC3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(SC(F)F)cc2)no1
InChIInChI=1S/C10H8F2N2OS/c11-10(12)16-7-3-1-6(2-4-7)8-5-9(13)15-14-8/h1-5,10H,13H2
InChIKeyKNRSDSNOJIKJFP-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.24
Rot. Bonds3

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

3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117357277) has the molecular formula C10H8F2N2OS and a molecular weight of 242.25 g/mol. Its IUPAC name is 3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine
PubChem CID117357277
Molecular FormulaC10H8F2N2OS
Molecular Weight242.25 g/mol
Exact Mass242.03
IUPAC Name3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(SC(F)F)cc2)no1
InChIInChI=1S/C10H8F2N2OS/c11-10(12)16-7-3-1-6(2-4-7)8-5-9(13)15-14-8/h1-5,10H,13H2
InChIKeyKNRSDSNOJIKJFP-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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Related Compounds

5-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-3-amine
CID 117357259
3-[4-(difluoromethoxy)phenyl]-1,2-oxazol-5-amine
CID 28603394
3-[4-(1,1,1,3,3,3-hexafluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117494983
3-[4-(1,1-difluoroethyl)phenyl]-1,2-oxazol-5-amine
CID 117321318
3-(4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82472062
6-[4-(difluoromethylsulfanyl)phenyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716571
3-(4-butan-2-ylphenyl)-1,2-oxazol-5-amine
CID 5100398
3-(4-methyl-3-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117314495
3-(4-propan-2-ylsulfonylphenyl)-1,2-oxazol-5-amine
CID 82487019
4-[4-(difluoromethylsulfanyl)phenyl]-2-methylaniline
CID 54912624
3-phenyl-1,2-oxazol-5-amine;1H-pyrrole
CID 159562874
3-(3-fluoro-4-propan-2-yloxyphenyl)-1,2-oxazol-5-amine
CID 82476360

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine (CID 117357277) is 3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccc(SC(F)F)cc2)no1.
What is the InChIKey of 3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is KNRSDSNOJIKJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2OS/c11-10(12)16-7-3-1-6(2-4-7)8-5-9(13)15-14-8/h1-5,10H,13H2.
What are the key properties of 3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine?
3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-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 3-[4-(difluoromethylsulfanyl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117357277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).