5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine

C10H9FN2OS — CID 117321679

IUPAC5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine
SMILESCSc1cccc(F)c1-c1cc(N)no1
InChIInChI=1S/C10H9FN2OS/c1-15-8-4-2-3-6(11)10(8)7-5-9(12)13-14-7/h2-5H,1H3,(H2,12,13)
InChIKeySZTKDYXHJFPGEV-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.78
Rot. Bonds2

About 5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine

5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine (PubChem CID 117321679) has the molecular formula C10H9FN2OS and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine
PubChem CID117321679
Molecular FormulaC10H9FN2OS
Molecular Weight224.26 g/mol
Exact Mass224.04
IUPAC Name5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine
SMILESCSc1cccc(F)c1-c1cc(N)no1
InChIInChI=1S/C10H9FN2OS/c1-15-8-4-2-3-6(11)10(8)7-5-9(12)13-14-7/h2-5H,1H3,(H2,12,13)
InChIKeySZTKDYXHJFPGEV-UHFFFAOYSA-N
XLogP2.78
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-(dimethylamino)-3,6-difluorophenyl]-1,2-oxazol-3-amine
CID 115111734
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methylphenol
CID 136998720
5-[2-(dimethylamino)-3-fluorophenyl]-1,2-oxazol-3-amine
CID 115111733
5-(4-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 64983047
3-(3-amino-1,2-oxazol-5-yl)-2,4-difluorophenol
CID 117302447
5-(6-chloro-2-fluoro-3-methylphenyl)-1,2-oxazol-3-amine
CID 117325876
2-(3-amino-1,2-oxazol-5-yl)-3-fluoro-6-methoxyphenol
CID 136968457
5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393405
5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-1,2-oxazol-3-amine
CID 117344208
5-[3-(difluoromethoxy)phenyl]-1,2-oxazol-3-amine
CID 66199211
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
5-(5,7-difluoro-1-benzofuran-4-yl)-1,2-oxazol-3-amine
CID 117344153

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine (CID 117321679) is 5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine is CSc1cccc(F)c1-c1cc(N)no1.
What is the InChIKey of 5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine?
The InChIKey is SZTKDYXHJFPGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2OS/c1-15-8-4-2-3-6(11)10(8)7-5-9(12)13-14-7/h2-5H,1H3,(H2,12,13).
What are the key properties of 5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine?
5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine has a molecular weight of 224.26 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylsulfanylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117321679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).